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#-------------------------------------------------------------------------------
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#
# Copyright (c) 2008 The Regents of the University of California
#
# This file is part of Qbox
#
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# Qbox is distributed under the terms of the GNU General Public License
# as published by the Free Software Foundation, either version 2 of
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# the License, or (at your option) any later version.
# See the file COPYING in the root directory of this distribution
# or <http://www.gnu.org/licenses/>.
#
#-------------------------------------------------------------------------------
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# $Id: Makefile,v 1.66 2009-11-30 02:34:31 fgygi Exp $
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#------------------------------------------------------------------------------
#
include $(TARGET).mk
#------------------------------------------------------------------------------
#
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EXEC=qb
TESTEXECS=testMatrix testFTGrid testGridFunction testBasis \
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testBlacsContext testSlaterDet testEnergyFunctional testSample \
testChargeDensity  testFourierTransform testSpecies testContext
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OBJECTS=qb.o AtomSet.o Atom.o Species.o \
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        Wavefunction.o SlaterDet.o \
        EnergyFunctional.o SampleStepper.o \
        Basis.o FourierTransform.o Matrix.o Context.o \
        sinft.o spline.o UnitCell.o StructureFactor.o \
        ChargeDensity.o UserInterface.o RunCmd.o LDAFunctional.o \
        LoadCmd.o SaveCmd.o \
        SpeciesCmd.o SpeciesReader.o SpeciesHandler.o \
        XCPotential.o LDAFunctional.o PBEFunctional.o \
        BLYPFunctional.o NonLocalPotential.o \
	SampleReader.o StructuredDocumentHandler.o \
        SampleHandler.o AtomSetHandler.o WavefunctionHandler.o \
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        XMLGFPreprocessor.o Base64Transcoder.o \
        CPSampleStepper.o BOSampleStepper.o \
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        SDWavefunctionStepper.o \
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        MDWavefunctionStepper.o SDIonicStepper.o MDIonicStepper.o \
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        BMDIonicStepper.o \
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        PSDWavefunctionStepper.o PSDAWavefunctionStepper.o \
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        JDWavefunctionStepper.o \
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        SDCellStepper.o ConfinementPotential.o Preconditioner.o \
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        release.o qbox_xmlns.o isodate.o \
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        AndersonMixer.o SDAIonicStepper.o CGIonicStepper.o \
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        ConstraintSet.o Constraint.o PositionConstraint.o DistanceConstraint.o \
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        AngleConstraint.o TorsionConstraint.o jacobi.o \
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        SampleWriter.o ComputeMLWFCmd.o BasisMapping.o MLWFTransform.o \
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        jade.o PlotCmd.o \
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        $(PLTOBJECTS)
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CXXFLAGS += -DTARGET='"$(TARGET)"'
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 $(EXEC):    $(OBJECTS)
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 lib:   $(OBJECTS)
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	ar cr libqb.a $^
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 SamplePrint: SamplePrint.o SamplePrintHandlers.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testMatrixColumnRotation : testMatrixColumnRotation.o Matrix.o Context.o \
        MatrixColumnRotation.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testAndersonMixer: testAndersonMixer.o AndersonMixer.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testSample: testSample.o AtomSet.o Atom.o Species.o \
        Wavefunction.o SlaterDet.o \
        Basis.o FourierTransform.o Matrix.o Context.o \
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        sinft.o spline.o UnitCell.o \
        Base64Transcoder.o Constraint.o ConstraintSet.o DistanceConstraint.o \
        AngleConstraint.o TorsionConstraint.o PositionConstraint.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testreadSample: testreadSample.o \
         Context.o AtomSet.o Atom.o Basis.o SlaterDet.o \
         Constraint.o ConstraintSet.o Wavefunction.o UnitCell.o Matrix.o \
         SampleReader.o StructuredDocumentHandler.o FourierTransform.o \
         Species.o SpeciesReader.o sinft.o spline.o SpeciesHandler.o \
         SampleHandler.o WavefunctionHandler.o AtomSetHandler.o \
         Base64Transcoder.o ConstraintSet.o DistanceConstraint.o \
         AngleConstraint.o TorsionConstraint.o XMLGFPreprocessor.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 truncateMLWF: truncateMLWF.o \
         MLWFTransform.o BasisMapping.o jade.o \
         Context.o AtomSet.o Atom.o Basis.o SlaterDet.o \
         Constraint.o ConstraintSet.o Wavefunction.o UnitCell.o Matrix.o \
         SampleReader.o StructuredDocumentHandler.o FourierTransform.o \
         Species.o SpeciesReader.o sinft.o spline.o SpeciesHandler.o \
         SampleHandler.o WavefunctionHandler.o AtomSetHandler.o \
         Base64Transcoder.o ConstraintSet.o DistanceConstraint.o \
         AngleConstraint.o TorsionConstraint.o XMLGFPreprocessor.o \
         SampleWriter.o qbox_xmlns.o isodate.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 bisection: bisection.o jade.o \
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         Context.o AtomSet.o Atom.o Basis.o SlaterDet.o \
         Constraint.o ConstraintSet.o Wavefunction.o UnitCell.o Matrix.o \
         SampleReader.o StructuredDocumentHandler.o FourierTransform.o \
         Species.o SpeciesReader.o sinft.o spline.o SpeciesHandler.o \
         SampleHandler.o WavefunctionHandler.o AtomSetHandler.o \
         Base64Transcoder.o ConstraintSet.o DistanceConstraint.o \
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         AngleConstraint.o TorsionConstraint.o PositionConstraint.o \
         XMLGFPreprocessor.o \
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         SampleWriter.o qbox_xmlns.o isodate.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 plotSample: plotSample.o \
         Context.o AtomSet.o Atom.o Basis.o SlaterDet.o \
         Constraint.o ConstraintSet.o Wavefunction.o UnitCell.o Matrix.o \
         SampleReader.o StructuredDocumentHandler.o FourierTransform.o \
         Species.o SpeciesReader.o sinft.o spline.o SpeciesHandler.o \
         SampleHandler.o WavefunctionHandler.o AtomSetHandler.o \
         Base64Transcoder.o ConstraintSet.o DistanceConstraint.o \
         AngleConstraint.o TorsionConstraint.o XMLGFPreprocessor.o \
         ChargeDensity.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testChargeDensity: testChargeDensity.o ChargeDensity.o \
        Wavefunction.o SlaterDet.o \
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        Basis.o FourierTransform.o Matrix.o UnitCell.o Context.o \
        Base64Transcoder.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testWavefunction: testWavefunction.o Wavefunction.o SlaterDet.o \
        Basis.o FourierTransform.o Matrix.o UnitCell.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testEnergyFunctional: testEnergyFunctional.o EnergyFunctional.o Basis.o \
	SlaterDet.o Matrix.o UnitCell.o Context.o FourierTransform.o \
        Wavefunction.o Species.o Atom.o AtomSet.o StructureFactor.o \
        ChargeDensity.o \
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        sinft.o spline.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testSlaterDet: testSlaterDet.o SlaterDet.o FourierTransform.o \
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        Basis.o UnitCell.o Matrix.o Context.o Base64Transcoder.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testBasisMapping: testBasisMapping.o BasisMapping.o Basis.o \
        Context.o UnitCell.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testSpecies: testSpecies.o Species.o sinft.o spline.o Context.o \
	SpeciesReader.o StructuredDocumentHandler.o SpeciesHandler.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testXCFunctional: testXCFunctional.o LDAFunctional.o PBEFunctional.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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#testMatrix: testMatrix.o Matrix.o Context.o pdgetri.o
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 testMatrix: testMatrix.o Matrix.o Context.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testjacobi: testjacobi.o jacobi.o Matrix.o Context.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testjade: testjade.o jade.o Matrix.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testFourierTransform: testFourierTransform.o FourierTransform.o \
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        Context.o Basis.o UnitCell.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testFTGrid: testFTGrid.o FTGrid.o BlacsContext.o Basis.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testGridFunction: testGridFunction.o GridFunction.o BlacsContext.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testUnitCell: testUnitCell.o UnitCell.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testBasis: testBasis.o Basis.o UnitCell.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testMapping: testMapping.o Basis.o UnitCell.o Context.o ShiftMapping.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testBlacsContext: testBlacsContext.o BlacsContext.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testContext: testContext.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testHandler: testHandler.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testPParse: testPParse.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testMemParse: testMemParse.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 upf2qso: upf2qso.o PeriodicTable.o spline.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 xmlSpecies: xmlSpecies.o qbox_xmlns.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 xmlget: xmlget.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 xmlextract: xmlextract.o
	$(LD) -o xmlextract xmlextract.C -I$(XERCESCDIR)/include \
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        -L$(XERCESCDIR)/lib -lxerces-c
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 testXMLGFPreprocessor: testXMLGFPreprocessor.o XMLGFPreprocessor.o Context.o \
        Base64Transcoder.o Matrix.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 testwrite: testwrite.o Context.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 testStepper: testStepper.o AtomSet.o Context.o MDIonicStepper.o \
Wavefunction.o Species.o SlaterDet.o spline.o sinft.o Basis.o Matrix.o \
FourierTransform.o UnitCell.o Atom.o BOSampleStepper.o \
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SampleStepper.o EnergyFunctional.o
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 test_fftw: test_fftw.o $(PLTOBJECTS)
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	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 test_fftw3: test_fftw3.o
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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 test_sinft: test_sinft.o sinft.o $(PLTOBJECTS)
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
 test_spline: test_spline.o spline.o $(PLTOBJECTS)
	$(LD) $(DFLAGS) -o $@ $^ $(LDFLAGS)
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#------------------------------------------------------------------------------
# generate dependencies in makefile: use -Y to avoid library header files
# that are likely to be different on other platforms.
 depend :
	makedepend -Y -D$(PLT) *.[cCh]
#makedepend -D$(PLT) -I/usr/include/CC *.[cC]
#------------------------------------------------------------------------------
#  Cleanup object files
 clean :
	rm -f *.o
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	rm -f $(EXEC) $(TESTEXECS)
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	rm -rf ti_files
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	rm -f libqb.a
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#------------------------------------------------------------------------------
 ctags :
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	etags -o tags *.[Ch]
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#------------------------------------------------------------------------------
 html :
	enscript -Ecpp --color -Whtml --toc -pqbsrc.html *.h *.C
#------------------------------------------------------------------------------
 ps :
	enscript -Ecpp --toc -2rGj -pqb.ps *.h *.C Makefile *.mk
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#------------------------------------------------------------------------------
 tar :
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	tar czf qbsrc.tgz *.[Ch] Makefile *.mk notes
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#------------------------------------------------------------------------------
# DO NOT DELETE

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AndersonMixer.o: AndersonMixer.h Context.h blas.h
AndersonMixer.o: Context.h
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AngleCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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AngleCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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AngleConstraint.o: AngleConstraint.h Constraint.h D3vector.h AtomSet.h
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AngleConstraint.o: Context.h Atom.h UnitCell.h Species.h
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AngleConstraint.o: Constraint.h D3vector.h
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Atom.o: Atom.h D3vector.h
AtomCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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AtomCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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Atom.o: D3vector.h
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AtomsDyn.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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AtomsDyn.o: ConstraintSet.h Wavefunction.h Control.h
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AtomSet.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Species.h
AtomSet.o: NameOf.h
AtomSet.o: Context.h Atom.h D3vector.h UnitCell.h
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AtomSetHandler.o: StructureHandler.h D3vector.h
Base64Transcoder.o: Base64Transcoder.h
Basis.o: Basis.h D3vector.h UnitCell.h Context.h
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Basis.o: D3vector.h UnitCell.h Context.h
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BasisMapping.o: Basis.h D3vector.h UnitCell.h Context.h BasisMapping.h
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BLYPFunctional.o: BLYPFunctional.h XCFunctional.h
BLYPFunctional.o: XCFunctional.h
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BMDIonicStepper.o: BMDIonicStepper.h IonicStepper.h Sample.h AtomSet.h
BMDIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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BMDIonicStepper.o: Wavefunction.h Control.h Species.h
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BMDIonicStepper.o: IonicStepper.h Sample.h AtomSet.h Context.h Atom.h
BMDIonicStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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BMDIonicStepper.o: Control.h Species.h
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BOSampleStepper.o: BOSampleStepper.h SampleStepper.h Timer.h
BOSampleStepper.o: EnergyFunctional.h ChargeDensity.h Context.h
BOSampleStepper.o: StructureFactor.h Sample.h AtomSet.h Atom.h D3vector.h
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BOSampleStepper.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
BOSampleStepper.o: SlaterDet.h Basis.h Matrix.h WavefunctionStepper.h
BOSampleStepper.o: SDWavefunctionStepper.h PSDWavefunctionStepper.h
BOSampleStepper.o: PSDAWavefunctionStepper.h JDWavefunctionStepper.h
BOSampleStepper.o: SDIonicStepper.h IonicStepper.h Species.h
BOSampleStepper.o: SDAIonicStepper.h LineMinimizer.h CGIonicStepper.h
BOSampleStepper.o: MDIonicStepper.h BMDIonicStepper.h SDCellStepper.h
BOSampleStepper.o: CellStepper.h Preconditioner.h AndersonMixer.h
BOSampleStepper.o: MLWFTransform.h BasisMapping.h
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BOSampleStepper.o: SampleStepper.h Timer.h EnergyFunctional.h ChargeDensity.h
BOSampleStepper.o: Context.h StructureFactor.h Sample.h AtomSet.h Atom.h
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BOSampleStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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BOSampleStepper.o: Control.h
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CellDyn.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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CellDyn.o: ConstraintSet.h Wavefunction.h Control.h SlaterDet.h Basis.h
CellDyn.o: Matrix.h Timer.h
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Cell.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Cell.o: ConstraintSet.h Wavefunction.h Control.h
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CellLock.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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CellLock.o: ConstraintSet.h Wavefunction.h Control.h
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CellMass.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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CellMass.o: ConstraintSet.h Wavefunction.h Control.h
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CellStepper.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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CellStepper.o: ConstraintSet.h Wavefunction.h Control.h
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CGIonicStepper.o: CGIonicStepper.h IonicStepper.h Sample.h AtomSet.h
CGIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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CGIonicStepper.o: Wavefunction.h Control.h Species.h LineMinimizer.h
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CGIonicStepper.o: IonicStepper.h Sample.h AtomSet.h Context.h Atom.h
CGIonicStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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CGIonicStepper.o: Control.h Species.h LineMinimizer.h
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ChargeDensity.o: ChargeDensity.h Timer.h Context.h Basis.h D3vector.h
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ChargeDensity.o: UnitCell.h Wavefunction.h FourierTransform.h SlaterDet.h
ChargeDensity.o: Matrix.h
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ChargeDensity.o: Timer.h Context.h
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ChargeMixCoeff.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ChargeMixCoeff.o: ConstraintSet.h Wavefunction.h Control.h
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ChargeMixNdim.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ChargeMixNdim.o: ConstraintSet.h Wavefunction.h Control.h
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ChargeMixRcut.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ChargeMixRcut.o: ConstraintSet.h Wavefunction.h Control.h
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ComputeMLWFCmd.o: ComputeMLWFCmd.h UserInterface.h Sample.h AtomSet.h
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ComputeMLWFCmd.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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ComputeMLWFCmd.o: Wavefunction.h Control.h MLWFTransform.h BasisMapping.h
ComputeMLWFCmd.o: SlaterDet.h Basis.h Matrix.h Timer.h
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ComputeMLWFCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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ComputeMLWFCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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ComputeMLWFCmd.o: Control.h MLWFTransform.h BasisMapping.h
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ConfinementPotential.o: ConfinementPotential.h Basis.h D3vector.h UnitCell.h
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ConfinementPotential.o: Context.h
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Constraint.o: Constraint.h
ConstraintCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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ConstraintCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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ConstraintCmd.o: Control.h
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ConstraintSet.o: ConstraintSet.h PositionConstraint.h Constraint.h
ConstraintSet.o: DistanceConstraint.h AngleConstraint.h D3vector.h
ConstraintSet.o: TorsionConstraint.h Atom.h AtomSet.h Context.h UnitCell.h
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Context.o: Context.h
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CPSampleStepper.o: CPSampleStepper.h SampleStepper.h Timer.h
CPSampleStepper.o: EnergyFunctional.h ChargeDensity.h Context.h
CPSampleStepper.o: StructureFactor.h Sample.h AtomSet.h Atom.h D3vector.h
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CPSampleStepper.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
CPSampleStepper.o: SlaterDet.h Basis.h Matrix.h MDWavefunctionStepper.h
CPSampleStepper.o: WavefunctionStepper.h MDIonicStepper.h IonicStepper.h
CPSampleStepper.o: Species.h SDCellStepper.h CellStepper.h
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CPSampleStepper.o: SampleStepper.h Timer.h EnergyFunctional.h ChargeDensity.h
CPSampleStepper.o: Context.h StructureFactor.h Sample.h AtomSet.h Atom.h
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CPSampleStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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CPSampleStepper.o: Control.h
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Debug.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Debug.o: ConstraintSet.h Wavefunction.h Control.h
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DistanceCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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DistanceCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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DistanceConstraint.o: DistanceConstraint.h Constraint.h AtomSet.h Context.h
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DistanceConstraint.o: Atom.h D3vector.h UnitCell.h Species.h
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DistanceConstraint.o: Constraint.h
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Dt.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Dt.o: ConstraintSet.h Wavefunction.h Control.h
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Ecut.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Ecut.o: ConstraintSet.h Wavefunction.h Control.h
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Ecutprec.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Ecutprec.o: ConstraintSet.h Wavefunction.h Control.h
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Ecuts.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Ecuts.o: ConstraintSet.h Wavefunction.h Control.h
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Emass.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Emass.o: ConstraintSet.h Wavefunction.h Control.h
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EnergyFunctional.o: EnergyFunctional.h ChargeDensity.h Timer.h Context.h
EnergyFunctional.o: StructureFactor.h Sample.h AtomSet.h Atom.h D3vector.h
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EnergyFunctional.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
EnergyFunctional.o: Species.h SlaterDet.h Basis.h Matrix.h FourierTransform.h
EnergyFunctional.o: XCPotential.h LDAFunctional.h XCFunctional.h
EnergyFunctional.o: PBEFunctional.h BLYPFunctional.h NonLocalPotential.h
EnergyFunctional.o: ConfinementPotential.h blas.h
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EnergyFunctional.o: ChargeDensity.h Timer.h Context.h StructureFactor.h
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ExtStress.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ExtStress.o: ConstraintSet.h Wavefunction.h Control.h
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FermiTemp.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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FermiTemp.o: ConstraintSet.h Wavefunction.h Control.h
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FoldInWsCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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FoldInWsCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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FourierTransform.o: FourierTransform.h Timer.h Basis.h D3vector.h UnitCell.h
FourierTransform.o: Context.h
FourierTransform.o: Timer.h
Francois Gygi committed
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HelpCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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HelpCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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IonicStepper.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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IonicStepper.o: ConstraintSet.h Wavefunction.h Control.h Species.h
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isodate.o: isodate.h
Francois Gygi committed
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jacobi.o: Context.h Matrix.h blas.h
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jade.o: Context.h Matrix.h blas.h Timer.h
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JDWavefunctionStepper.o: JDWavefunctionStepper.h WavefunctionStepper.h
JDWavefunctionStepper.o: Timer.h Wavefunction.h D3vector.h UnitCell.h
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JDWavefunctionStepper.o: SlaterDet.h Context.h Basis.h Matrix.h
JDWavefunctionStepper.o: EnergyFunctional.h ChargeDensity.h StructureFactor.h
JDWavefunctionStepper.o: Preconditioner.h
368
JDWavefunctionStepper.o: WavefunctionStepper.h Timer.h Wavefunction.h
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JDWavefunctionStepper.o: D3vector.h UnitCell.h
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KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h
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KpointCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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LDAFunctional.o: LDAFunctional.h XCFunctional.h
LDAFunctional.o: XCFunctional.h
ListAtomsCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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ListAtomsCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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ListAtomsCmd.o: Control.h
Francois Gygi committed
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ListConstraintsCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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ListConstraintsCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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ListConstraintsCmd.o: Control.h
Francois Gygi committed
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ListSpeciesCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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ListSpeciesCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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ListSpeciesCmd.o: Control.h
Francois Gygi committed
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LoadCmd.o: LoadCmd.h UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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LoadCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h Control.h
LoadCmd.o: SampleReader.h
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LoadCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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LoadCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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Matrix.o: Context.h Matrix.h
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MDIonicStepper.o: MDIonicStepper.h IonicStepper.h Sample.h AtomSet.h
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MDIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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MDIonicStepper.o: Wavefunction.h Control.h Species.h
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MDIonicStepper.o: IonicStepper.h Sample.h AtomSet.h Context.h Atom.h
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MDIonicStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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MDIonicStepper.o: Control.h Species.h
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MDWavefunctionStepper.o: MDWavefunctionStepper.h WavefunctionStepper.h
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MDWavefunctionStepper.o: Timer.h Wavefunction.h D3vector.h UnitCell.h
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MDWavefunctionStepper.o: SlaterDet.h Context.h Basis.h Matrix.h Sample.h
MDWavefunctionStepper.o: AtomSet.h Atom.h ConstraintSet.h Control.h
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MDWavefunctionStepper.o: WavefunctionStepper.h Timer.h
Francois Gygi committed
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MLWFTransform.o: MLWFTransform.h D3vector.h BasisMapping.h Basis.h UnitCell.h
Francois Gygi committed
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MLWFTransform.o: Context.h SlaterDet.h Matrix.h Timer.h jade.h blas.h
Francois Gygi committed
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MLWFTransform.o: D3vector.h BasisMapping.h
Francois Gygi committed
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MoveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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MoveCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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Nempty.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Nempty.o: ConstraintSet.h Wavefunction.h Control.h
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NetCharge.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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NetCharge.o: ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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NonLocalPotential.o: NonLocalPotential.h AtomSet.h Context.h Atom.h
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NonLocalPotential.o: D3vector.h UnitCell.h Basis.h SlaterDet.h Matrix.h
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NonLocalPotential.o: Timer.h Species.h blas.h
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NonLocalPotential.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Basis.h
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NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h
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Nrowmax.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Nrowmax.o: ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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PBEFunctional.o: PBEFunctional.h XCFunctional.h
PBEFunctional.o: XCFunctional.h
Francois Gygi committed
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PlotCmd.o: PlotCmd.h UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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PlotCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h Control.h
PlotCmd.o: isodate.h release.h SampleReader.h Basis.h FourierTransform.h
PlotCmd.o: Timer.h SlaterDet.h Matrix.h Species.h ChargeDensity.h
Francois Gygi committed
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PlotCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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PlotCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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PositionConstraint.o: PositionConstraint.h Constraint.h AtomSet.h Context.h
PositionConstraint.o: Atom.h D3vector.h UnitCell.h Species.h
PositionConstraint.o: Constraint.h
Francois Gygi committed
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Preconditioner.o: Preconditioner.h EnergyFunctional.h ChargeDensity.h Timer.h
Preconditioner.o: Context.h StructureFactor.h Sample.h AtomSet.h Atom.h
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Preconditioner.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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Preconditioner.o: Control.h Basis.h SlaterDet.h Matrix.h
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Preconditioner.o: ConfinementPotential.h
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PrintCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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PrintCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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PSDAWavefunctionStepper.o: PSDAWavefunctionStepper.h WavefunctionStepper.h
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PSDAWavefunctionStepper.o: Timer.h Wavefunction.h D3vector.h UnitCell.h
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PSDAWavefunctionStepper.o: SlaterDet.h Context.h Basis.h Matrix.h
PSDAWavefunctionStepper.o: Preconditioner.h
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PSDAWavefunctionStepper.o: WavefunctionStepper.h Timer.h Wavefunction.h
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PSDAWavefunctionStepper.o: D3vector.h UnitCell.h
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PSDWavefunctionStepper.o: PSDWavefunctionStepper.h WavefunctionStepper.h
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PSDWavefunctionStepper.o: Timer.h Wavefunction.h D3vector.h UnitCell.h
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PSDWavefunctionStepper.o: SlaterDet.h Context.h Basis.h Matrix.h
PSDWavefunctionStepper.o: Preconditioner.h
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PSDWavefunctionStepper.o: WavefunctionStepper.h Timer.h
Francois Gygi committed
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qb.o: isodate.h release.h qbox_xmlns.h Context.h UserInterface.h Sample.h
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qb.o: AtomSet.h Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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qb.o: Control.h Timer.h AngleCmd.h AtomCmd.h ComputeMLWFCmd.h MLWFTransform.h
qb.o: BasisMapping.h ConstraintCmd.h DistanceCmd.h FoldInWsCmd.h HelpCmd.h
qb.o: KpointCmd.h ListAtomsCmd.h ListSpeciesCmd.h LoadCmd.h MoveCmd.h
qb.o: PlotCmd.h PrintCmd.h QuitCmd.h RandomizeWfCmd.h ResetVcmCmd.h RunCmd.h
qb.o: SaveCmd.h SetCmd.h SpeciesCmd.h StatusCmd.h StrainCmd.h TorsionCmd.h
qb.o: AtomsDyn.h Cell.h CellDyn.h SlaterDet.h Basis.h Matrix.h CellLock.h
qb.o: CellMass.h ChargeMixCoeff.h ChargeMixNdim.h ChargeMixRcut.h Debug.h
qb.o: Ecut.h Ecutprec.h Ecuts.h Emass.h ExtStress.h FermiTemp.h Dt.h Nempty.h
qb.o: NetCharge.h Nrowmax.h RefCell.h Stress.h Thermostat.h ThTemp.h ThTime.h
qb.o: ThWidth.h WfDiag.h WfDyn.h Xc.h
Francois Gygi committed
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qbox_xmlns.o: qbox_xmlns.h
Francois Gygi committed
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QuitCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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QuitCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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RandomizeWfCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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RandomizeWfCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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RandomizeWfCmd.o: Control.h
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RefCell.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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RefCell.o: ConstraintSet.h Wavefunction.h Control.h
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release.o: release.h
Francois Gygi committed
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ResetVcmCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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ResetVcmCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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RunCmd.o: RunCmd.h UserInterface.h BOSampleStepper.h SampleStepper.h Timer.h
RunCmd.o: EnergyFunctional.h ChargeDensity.h Context.h StructureFactor.h
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RunCmd.o: Sample.h AtomSet.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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RunCmd.o: Wavefunction.h Control.h CPSampleStepper.h
Francois Gygi committed
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RunCmd.o: UserInterface.h
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Sample.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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Sample.o: Wavefunction.h Control.h
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SampleHandler.o: StructureHandler.h
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SampleReader.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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SampleReader.o: ConstraintSet.h Wavefunction.h Control.h SampleReader.h
SampleReader.o: SpeciesReader.h Species.h Basis.h FourierTransform.h Timer.h
SampleReader.o: SlaterDet.h Matrix.h XMLGFPreprocessor.h
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SampleStepper.o: SampleStepper.h Timer.h Sample.h AtomSet.h Context.h Atom.h
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SampleStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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SampleStepper.o: Control.h Species.h
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SampleStepper.o: Timer.h
SampleWriter.o: SampleWriter.h Context.h Sample.h AtomSet.h Atom.h D3vector.h
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SampleWriter.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
SampleWriter.o: qbox_xmlns.h Timer.h SharedFilePtr.h
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SampleWriter.o: Context.h
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SaveCmd.o: SaveCmd.h UserInterface.h Sample.h AtomSet.h Context.h Atom.h
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SaveCmd.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h Control.h
SaveCmd.o: SampleWriter.h isodate.h release.h
Francois Gygi committed
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SaveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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SaveCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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SDAIonicStepper.o: SDAIonicStepper.h IonicStepper.h Sample.h AtomSet.h
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SDAIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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SDAIonicStepper.o: Wavefunction.h Control.h Species.h LineMinimizer.h
Francois Gygi committed
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SDAIonicStepper.o: IonicStepper.h Sample.h AtomSet.h Context.h Atom.h
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SDAIonicStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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SDAIonicStepper.o: Control.h Species.h LineMinimizer.h
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SDCellStepper.o: SDCellStepper.h CellStepper.h Sample.h AtomSet.h Context.h
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SDCellStepper.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
Francois Gygi committed
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SDCellStepper.o: Control.h
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SDCellStepper.o: CellStepper.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
SDCellStepper.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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SDIonicStepper.o: SDIonicStepper.h IonicStepper.h Sample.h AtomSet.h
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SDIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
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SDIonicStepper.o: Wavefunction.h Control.h Species.h
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SDIonicStepper.o: IonicStepper.h Sample.h AtomSet.h Context.h Atom.h
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SDIonicStepper.o: D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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SDIonicStepper.o: Control.h Species.h
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SDWavefunctionStepper.o: SDWavefunctionStepper.h WavefunctionStepper.h
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SDWavefunctionStepper.o: Timer.h Wavefunction.h D3vector.h UnitCell.h
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SDWavefunctionStepper.o: SlaterDet.h Context.h Basis.h Matrix.h Sample.h
SDWavefunctionStepper.o: AtomSet.h Atom.h ConstraintSet.h Control.h
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SDWavefunctionStepper.o: WavefunctionStepper.h Timer.h
Francois Gygi committed
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SetCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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SetCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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sinft.o: sinft.h
SlaterDet.o: SlaterDet.h Context.h Basis.h D3vector.h UnitCell.h Matrix.h
Francois Gygi committed
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SlaterDet.o: Timer.h FourierTransform.h blas.h Base64Transcoder.h
Francois Gygi committed
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SlaterDet.o: SharedFilePtr.h
Francois Gygi committed
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SlaterDet.o: Context.h Basis.h D3vector.h UnitCell.h Matrix.h Timer.h
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Species.o: Species.h Context.h spline.h sinft.h
SpeciesCmd.o: SpeciesCmd.h UserInterface.h Sample.h AtomSet.h Context.h
524
SpeciesCmd.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h Wavefunction.h
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SpeciesCmd.o: Control.h SpeciesReader.h Species.h
Francois Gygi committed
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SpeciesCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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SpeciesCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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Species.o: Context.h
SpeciesHandler.o: StructureHandler.h
SpeciesReader.o: Species.h Context.h SpeciesReader.h
SpeciesReader.o: Context.h
spline.o: spline.h
StatusCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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StatusCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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StrainCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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StrainCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
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Stress.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Stress.o: ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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StructuredDocumentHandler.o: StrX.h StructureHandler.h
Francois Gygi committed
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StructureFactor.o: StructureFactor.h Basis.h D3vector.h UnitCell.h Context.h
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testAndersonMixer.o: Context.h AndersonMixer.h
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testBase64Transcoder.o: Base64Transcoder.h
Francois Gygi committed
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testBasis.o: Basis.h D3vector.h UnitCell.h Context.h
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testBasisMapping.o: Context.h Basis.h D3vector.h UnitCell.h BasisMapping.h
testBasisMapping.o: Timer.h
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testChargeDensity.o: Context.h Wavefunction.h D3vector.h UnitCell.h
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testChargeDensity.o: ChargeDensity.h Timer.h SlaterDet.h Basis.h Matrix.h
testChargeDensity.o: FourierTransform.h
Francois Gygi committed
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testContext.o: Context.h
testEnergyFunctional.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h
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testEnergyFunctional.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
testEnergyFunctional.o: EnergyFunctional.h ChargeDensity.h Timer.h
testEnergyFunctional.o: StructureFactor.h
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test_fftw.o: Timer.h
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testFourierTransform.o: Context.h Basis.h D3vector.h UnitCell.h
testFourierTransform.o: FourierTransform.h Timer.h
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testjacobi.o: Timer.h Context.h Matrix.h jacobi.h
Francois Gygi committed
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testjade.o: Timer.h Context.h Matrix.h jade.h
Francois Gygi committed
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testLDAFunctional.o: LDAFunctional.h XCFunctional.h
testMatrix.o: Timer.h Context.h Matrix.h
testSample.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
Francois Gygi committed
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testSample.o: Timer.h Sample.h AtomSet.h Atom.h ConstraintSet.h
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testSample.o: Wavefunction.h Control.h
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testSlaterDet.o: Context.h SlaterDet.h Basis.h D3vector.h UnitCell.h Matrix.h
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testSlaterDet.o: Timer.h FourierTransform.h
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testSpecies.o: Species.h Context.h SpeciesReader.h
testUnitCell.o: UnitCell.h D3vector.h
testWavefunction.o: Context.h Wavefunction.h D3vector.h UnitCell.h
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testWavefunction.o: SlaterDet.h Basis.h Matrix.h Timer.h
Francois Gygi committed
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testXCFunctional.o: LDAFunctional.h XCFunctional.h PBEFunctional.h Timer.h
Francois Gygi committed
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testXMLGFPreprocessor.o: Context.h Matrix.h XMLGFPreprocessor.h
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Thermostat.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Thermostat.o: ConstraintSet.h Wavefunction.h Control.h
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ThTemp.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ThTemp.o: ConstraintSet.h Wavefunction.h Control.h
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ThTime.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ThTime.o: ConstraintSet.h Wavefunction.h Control.h
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ThWidth.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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ThWidth.o: ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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TorsionCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
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TorsionCmd.o: UnitCell.h ConstraintSet.h Wavefunction.h Control.h
Francois Gygi committed
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TorsionConstraint.o: TorsionConstraint.h Constraint.h D3vector.h AtomSet.h
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TorsionConstraint.o: Context.h Atom.h UnitCell.h Species.h
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TorsionConstraint.o: Constraint.h D3vector.h
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UnitCell.o: UnitCell.h D3vector.h
UnitCell.o: D3vector.h
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UserInterface.o: UserInterface.h qbox_xmlns.h
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Wavefunction.o: Wavefunction.h D3vector.h UnitCell.h SlaterDet.h Context.h
Wavefunction.o: Basis.h Matrix.h Timer.h jacobi.h SharedFilePtr.h
Wavefunction.o: D3vector.h UnitCell.h
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WavefunctionHandler.o: StructureHandler.h UnitCell.h D3vector.h
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WavefunctionHandler.o: Wavefunction.h SlaterDet.h Context.h Basis.h Matrix.h
WavefunctionHandler.o: Timer.h
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WavefunctionStepper.o: Timer.h
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WfDiag.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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WfDiag.o: ConstraintSet.h Wavefunction.h Control.h
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WfDyn.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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WfDyn.o: ConstraintSet.h Wavefunction.h Control.h SlaterDet.h Basis.h
WfDyn.o: Matrix.h Timer.h
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Xc.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
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Xc.o: ConstraintSet.h Wavefunction.h Control.h
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XCPotential.o: XCPotential.h ChargeDensity.h Timer.h Context.h
XCPotential.o: LDAFunctional.h XCFunctional.h PBEFunctional.h
XCPotential.o: BLYPFunctional.h Basis.h D3vector.h UnitCell.h
XCPotential.o: FourierTransform.h blas.h
XCPotential.o: ChargeDensity.h Timer.h Context.h LDAFunctional.h
XCPotential.o: XCFunctional.h PBEFunctional.h BLYPFunctional.h
Francois Gygi committed
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XMLGFPreprocessor.o: Timer.h Context.h Base64Transcoder.h Matrix.h
XMLGFPreprocessor.o: XMLGFPreprocessor.h
XMLGFPreprocessor.o: Matrix.h