Commit ef580b90 by Francois Gygi

merged hfb branch

git-svn-id: http://qboxcode.org/svn/qb/trunk@1116 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 3d1dd7d1
......@@ -30,10 +30,11 @@ OBJECTS=qb.o AtomSet.o Atom.o Species.o \
ChargeDensity.o UserInterface.o RunCmd.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 \
XCOperator.o ExchangeOperator.o Bisection.o KPGridConnectivity.o \
XCPotential.o LDAFunctional.o \
PBEFunctional.o BLYPFunctional.o B3LYPFunctional.o \
NonLocalPotential.o SampleReader.o StructuredDocumentHandler.o \
SampleHandler.o AtomSetHandler.o WavefunctionHandler.o \
XMLGFPreprocessor.o Base64Transcoder.o \
CPSampleStepper.o BOSampleStepper.o \
SDWavefunctionStepper.o \
......@@ -251,10 +252,26 @@ AtomSetHandler.o: AtomSetHandler.h StructureHandler.h D3vector.h AtomSet.h
AtomSetHandler.o: Context.h Atom.h UnitCell.h Species.h SpeciesHandler.h
AtomSetHandler.o: SpeciesReader.h StrX.h SampleReader.h
AtomSetHandler.o: StructureHandler.h D3vector.h
B3LYPFunctional.o: B3LYPFunctional.h XCFunctional.h
B3LYPFunctional.o: XCFunctional.h
Base64Transcoder.o: Base64Transcoder.h
Basis.o: Basis.h D3vector.h UnitCell.h Context.h
Basis.o: D3vector.h UnitCell.h Context.h
BasisMapping.o: Basis.h D3vector.h UnitCell.h Context.h BasisMapping.h
Bisection.o: Bisection.h Context.h Sample.h AtomSet.h Atom.h D3vector.h
Bisection.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
Bisection.o: Control.h Basis.h FourierTransform.h Timer.h SlaterDet.h
Bisection.o: Matrix.h isodate.h jade.h VectorLess.h
BisectionCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h
BisectionCmd.o: D3vector.h UnitCell.h ConstraintSet.h ExtForceSet.h
BisectionCmd.o: Wavefunction.h Control.h Bisection.h Basis.h
BisectionCmd.o: FourierTransform.h Timer.h SlaterDet.h Matrix.h isodate.h
BisectionCmd.o: jade.h
Bisection.o: Context.h Sample.h AtomSet.h Atom.h D3vector.h UnitCell.h
Bisection.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h Basis.h
Bisection.o: FourierTransform.h Timer.h SlaterDet.h Matrix.h isodate.h jade.h
BlHF.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
BlHF.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
BLYPFunctional.o: BLYPFunctional.h XCFunctional.h
BLYPFunctional.o: XCFunctional.h
BMDIonicStepper.o: BMDIonicStepper.h IonicStepper.h Sample.h AtomSet.h
......@@ -280,6 +297,8 @@ BOSampleStepper.o: SampleStepper.h Timer.h EnergyFunctional.h ChargeDensity.h
BOSampleStepper.o: Context.h StructureFactor.h Sample.h AtomSet.h Atom.h
BOSampleStepper.o: D3vector.h UnitCell.h ConstraintSet.h ExtForceSet.h
BOSampleStepper.o: Wavefunction.h Control.h
BtHF.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
BtHF.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
CellDyn.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
CellDyn.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h SlaterDet.h
CellDyn.o: Basis.h Matrix.h Timer.h
......@@ -358,6 +377,8 @@ DistanceCmd.o: Control.h
DistanceConstraint.o: DistanceConstraint.h Constraint.h AtomSet.h Context.h
DistanceConstraint.o: Atom.h D3vector.h UnitCell.h Species.h
DistanceConstraint.o: Constraint.h
Dspin.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Dspin.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
Dt.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Dt.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
Ecut.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
......@@ -372,9 +393,18 @@ EnergyFunctional.o: EnergyFunctional.h ChargeDensity.h Timer.h Context.h
EnergyFunctional.o: StructureFactor.h Sample.h AtomSet.h Atom.h D3vector.h
EnergyFunctional.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
EnergyFunctional.o: Control.h Species.h SlaterDet.h Basis.h Matrix.h
EnergyFunctional.o: FourierTransform.h XCPotential.h NonLocalPotential.h
EnergyFunctional.o: FourierTransform.h XCOperator.h NonLocalPotential.h
EnergyFunctional.o: ConfinementPotential.h blas.h
EnergyFunctional.o: ChargeDensity.h Timer.h Context.h StructureFactor.h
ExchangeOperator.o: ExchangeOperator.h Sample.h AtomSet.h Context.h Atom.h
ExchangeOperator.o: D3vector.h UnitCell.h ConstraintSet.h ExtForceSet.h
ExchangeOperator.o: Wavefunction.h Control.h SlaterDet.h Basis.h Matrix.h
ExchangeOperator.o: Timer.h FourierTransform.h KPGridConnectivity.h
ExchangeOperator.o: Bisection.h isodate.h jade.h
ExchangeOperator.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
ExchangeOperator.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
ExchangeOperator.o: SlaterDet.h Basis.h Matrix.h Timer.h FourierTransform.h
ExchangeOperator.o: KPGridConnectivity.h Bisection.h isodate.h jade.h
ExtForce.o: ExtForce.h D3vector.h
ExtForceCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
ExtForceCmd.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
......@@ -412,6 +442,13 @@ JDWavefunctionStepper.o: Preconditioner.h
JDWavefunctionStepper.o: WavefunctionStepper.h Timer.h Wavefunction.h
JDWavefunctionStepper.o: D3vector.h UnitCell.h
kpgen.o: D3vector.h
KPGridConnectivity.o: KPGridConnectivity.h Sample.h AtomSet.h Context.h
KPGridConnectivity.o: Atom.h D3vector.h UnitCell.h ConstraintSet.h
KPGridConnectivity.o: ExtForceSet.h Wavefunction.h Control.h SlaterDet.h
KPGridConnectivity.o: Basis.h Matrix.h Timer.h
KPGridConnectivity.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h
KPGridConnectivity.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
KPGridConnectivity.o: Control.h SlaterDet.h Basis.h Matrix.h Timer.h
KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h
KpointCmd.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
KpointCmd.o: Control.h
......@@ -461,6 +498,8 @@ NonLocalPotential.o: AtomSet.h Context.h Atom.h D3vector.h UnitCell.h Basis.h
NonLocalPotential.o: SlaterDet.h Matrix.h Timer.h
Nrowmax.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Nrowmax.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
Nspin.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Nspin.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
PairExtForce.o: PairExtForce.h ExtForce.h D3vector.h AtomSet.h Context.h
PairExtForce.o: Atom.h UnitCell.h Species.h
PairExtForce.o: ExtForce.h D3vector.h
......@@ -502,10 +541,11 @@ qb.o: ExtForceCmd.h FoldInWsCmd.h HelpCmd.h KpointCmd.h ListAtomsCmd.h
qb.o: ListSpeciesCmd.h LoadCmd.h MoveCmd.h PlotCmd.h PrintCmd.h QuitCmd.h
qb.o: RandomizeRCmd.h RandomizeVCmd.h RandomizeWfCmd.h ResetVcmCmd.h
qb.o: RescaleVCmd.h RseedCmd.h RunCmd.h SaveCmd.h SetCmd.h SpeciesCmd.h
qb.o: StatusCmd.h StrainCmd.h TorsionCmd.h AtomsDyn.h Cell.h CellDyn.h
qb.o: SlaterDet.h Basis.h Matrix.h CellLock.h CellMass.h ChargeMixCoeff.h
qb.o: ChargeMixNdim.h ChargeMixRcut.h Debug.h Ecut.h Ecutprec.h Ecuts.h
qb.o: Emass.h ExtStress.h FermiTemp.h Dt.h Nempty.h NetCharge.h Nrowmax.h
qb.o: StatusCmd.h StrainCmd.h TorsionCmd.h BisectionCmd.h Bisection.h Basis.h
qb.o: FourierTransform.h SlaterDet.h Matrix.h jade.h AtomsDyn.h BlHF.h BtHF.h
qb.o: Cell.h CellDyn.h CellLock.h CellMass.h ChargeMixCoeff.h ChargeMixNdim.h
qb.o: ChargeMixRcut.h Debug.h Dspin.h Ecut.h Ecutprec.h Ecuts.h Emass.h
qb.o: ExtStress.h FermiTemp.h Dt.h Nempty.h NetCharge.h Nrowmax.h Nspin.h
qb.o: RefCell.h Stress.h Thermostat.h ThTemp.h ThTime.h ThWidth.h WfDiag.h
qb.o: WfDyn.h Xc.h
qbox_xmlns.o: qbox_xmlns.h
......@@ -563,6 +603,8 @@ SaveCmd.o: D3vector.h UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
SaveCmd.o: Control.h SampleWriter.h isodate.h release.h
SaveCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
SaveCmd.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
ScfTol.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
ScfTol.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
SDAIonicStepper.o: SDAIonicStepper.h IonicStepper.h Sample.h AtomSet.h
SDAIonicStepper.o: Context.h Atom.h D3vector.h UnitCell.h ConstraintSet.h
SDAIonicStepper.o: ExtForceSet.h Wavefunction.h Control.h Species.h
......@@ -695,10 +737,19 @@ WfDyn.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h SlaterDet.h
WfDyn.o: Basis.h Matrix.h Timer.h
Xc.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
Xc.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
XCOperator.o: XCOperator.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
XCOperator.o: UnitCell.h ConstraintSet.h ExtForceSet.h Wavefunction.h
XCOperator.o: Control.h ChargeDensity.h Timer.h XCPotential.h
XCOperator.o: ExchangeOperator.h SlaterDet.h Basis.h Matrix.h
XCOperator.o: FourierTransform.h KPGridConnectivity.h Bisection.h isodate.h
XCOperator.o: jade.h
XCOperator.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
XCOperator.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
XCOperator.o: ChargeDensity.h Timer.h
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: BLYPFunctional.h B3LYPFunctional.h Basis.h D3vector.h
XCPotential.o: UnitCell.h FourierTransform.h blas.h
XCPotential.o: ChargeDensity.h Timer.h Context.h
XMLGFPreprocessor.o: Timer.h Context.h Base64Transcoder.h Matrix.h
XMLGFPreprocessor.o: XMLGFPreprocessor.h
......
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