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qbox
qbox-public
Commits
783c2a3d
Commit
783c2a3d
authored
Sep 08, 2008
by
Francois Gygi
Browse files
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removed trailing blanks
git-svn-id:
http://qboxcode.org/svn/qb/trunk@644
cba15fb0-1239-40c8-b417-11db7ca47a34
parent
62391171
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232 changed files
with
100 additions
and
100 deletions
+100
-100
AndersonMixer.C
src/AndersonMixer.C
+1
-1
AndersonMixer.h
src/AndersonMixer.h
+1
-1
AngleCmd.h
src/AngleCmd.h
+1
-1
AngleConstraint.C
src/AngleConstraint.C
+1
-1
AngleConstraint.h
src/AngleConstraint.h
+1
-1
Atom.C
src/Atom.C
+1
-1
Atom.h
src/Atom.h
+1
-1
AtomCmd.h
src/AtomCmd.h
+1
-1
AtomSet.C
src/AtomSet.C
+1
-1
AtomSet.h
src/AtomSet.h
+1
-1
AtomSetHandler.C
src/AtomSetHandler.C
+1
-1
AtomSetHandler.h
src/AtomSetHandler.h
+1
-1
AtomsDyn.h
src/AtomsDyn.h
+1
-1
BLYPFunctional.C
src/BLYPFunctional.C
+1
-1
BLYPFunctional.h
src/BLYPFunctional.h
+1
-1
BOSampleStepper.C
src/BOSampleStepper.C
+1
-1
BOSampleStepper.h
src/BOSampleStepper.h
+1
-1
Base64Transcoder.C
src/Base64Transcoder.C
+1
-1
Base64Transcoder.h
src/Base64Transcoder.h
+1
-1
Basis.C
src/Basis.C
+1
-1
Basis.h
src/Basis.h
+1
-1
BasisMapping.C
src/BasisMapping.C
+1
-1
BasisMapping.h
src/BasisMapping.h
+1
-1
CGIonicStepper.C
src/CGIonicStepper.C
+1
-1
CGIonicStepper.h
src/CGIonicStepper.h
+1
-1
CPSampleStepper.C
src/CPSampleStepper.C
+1
-1
CPSampleStepper.h
src/CPSampleStepper.h
+1
-1
Cell.h
src/Cell.h
+1
-1
CellDyn.h
src/CellDyn.h
+1
-1
CellLock.h
src/CellLock.h
+1
-1
CellMass.h
src/CellMass.h
+1
-1
CellStepper.h
src/CellStepper.h
+1
-1
ChargeDensity.C
src/ChargeDensity.C
+1
-1
ChargeDensity.h
src/ChargeDensity.h
+1
-1
ChargeMixCoeff.h
src/ChargeMixCoeff.h
+1
-1
ChargeMixRcut.h
src/ChargeMixRcut.h
+1
-1
ComputeMLWFCmd.C
src/ComputeMLWFCmd.C
+1
-1
ComputeMLWFCmd.h
src/ComputeMLWFCmd.h
+1
-1
ConfinementPotential.C
src/ConfinementPotential.C
+1
-1
ConfinementPotential.h
src/ConfinementPotential.h
+1
-1
Constraint.C
src/Constraint.C
+1
-1
Constraint.h
src/Constraint.h
+1
-1
ConstraintCmd.h
src/ConstraintCmd.h
+1
-1
ConstraintSet.C
src/ConstraintSet.C
+1
-1
ConstraintSet.h
src/ConstraintSet.h
+1
-1
Context.C
src/Context.C
+1
-1
Context.h
src/Context.h
+1
-1
Control.h
src/Control.h
+1
-1
D3vector.h
src/D3vector.h
+1
-1
Debug.h
src/Debug.h
+1
-1
DistanceCmd.h
src/DistanceCmd.h
+1
-1
DistanceConstraint.C
src/DistanceConstraint.C
+1
-1
DistanceConstraint.h
src/DistanceConstraint.h
+1
-1
Dt.h
src/Dt.h
+1
-1
Ecut.h
src/Ecut.h
+1
-1
Ecutprec.h
src/Ecutprec.h
+1
-1
Ecuts.h
src/Ecuts.h
+1
-1
Emass.h
src/Emass.h
+1
-1
EnergyFunctional.C
src/EnergyFunctional.C
+1
-1
EnergyFunctional.h
src/EnergyFunctional.h
+1
-1
ExtStress.h
src/ExtStress.h
+1
-1
FermiTemp.h
src/FermiTemp.h
+1
-1
FoldInWsCmd.h
src/FoldInWsCmd.h
+1
-1
FourierTransform.C
src/FourierTransform.C
+1
-1
FourierTransform.h
src/FourierTransform.h
+1
-1
HelpCmd.h
src/HelpCmd.h
+1
-1
IonicStepper.h
src/IonicStepper.h
+1
-1
KpointCmd.h
src/KpointCmd.h
+1
-1
LDAFunctional.C
src/LDAFunctional.C
+1
-1
LDAFunctional.h
src/LDAFunctional.h
+1
-1
LineMinimizer.h
src/LineMinimizer.h
+1
-1
ListAtomsCmd.h
src/ListAtomsCmd.h
+1
-1
ListConstraintsCmd.h
src/ListConstraintsCmd.h
+1
-1
ListSpeciesCmd.h
src/ListSpeciesCmd.h
+1
-1
LoadCmd.C
src/LoadCmd.C
+1
-1
LoadCmd.h
src/LoadCmd.h
+1
-1
MDIonicStepper.C
src/MDIonicStepper.C
+1
-1
MDIonicStepper.h
src/MDIonicStepper.h
+1
-1
MDWavefunctionStepper.C
src/MDWavefunctionStepper.C
+1
-1
MDWavefunctionStepper.h
src/MDWavefunctionStepper.h
+1
-1
MLWFTransform.C
src/MLWFTransform.C
+1
-1
MLWFTransform.h
src/MLWFTransform.h
+1
-1
Makefile
src/Makefile
+1
-1
Matrix.C
src/Matrix.C
+1
-1
Matrix.h
src/Matrix.h
+1
-1
MoveCmd.h
src/MoveCmd.h
+1
-1
NameOf.h
src/NameOf.h
+1
-1
Nempty.h
src/Nempty.h
+1
-1
NetCharge.h
src/NetCharge.h
+1
-1
NonLocalPotential.C
src/NonLocalPotential.C
+1
-1
NonLocalPotential.h
src/NonLocalPotential.h
+1
-1
Nrowmax.h
src/Nrowmax.h
+1
-1
PBEFunctional.C
src/PBEFunctional.C
+1
-1
PBEFunctional.h
src/PBEFunctional.h
+1
-1
PSDAWavefunctionStepper.C
src/PSDAWavefunctionStepper.C
+1
-1
PSDAWavefunctionStepper.h
src/PSDAWavefunctionStepper.h
+1
-1
PSDWavefunctionStepper.C
src/PSDWavefunctionStepper.C
+1
-1
PSDWavefunctionStepper.h
src/PSDWavefunctionStepper.h
+1
-1
Preconditioner.C
src/Preconditioner.C
+1
-1
Preconditioner.h
src/Preconditioner.h
+1
-1
PrintCmd.h
src/PrintCmd.h
+0
-0
QuitCmd.h
src/QuitCmd.h
+0
-0
RandomizeWfCmd.h
src/RandomizeWfCmd.h
+0
-0
RefCell.h
src/RefCell.h
+0
-0
ResetVcmCmd.h
src/ResetVcmCmd.h
+0
-0
RunCmd.C
src/RunCmd.C
+0
-0
RunCmd.h
src/RunCmd.h
+0
-0
SDAIonicStepper.C
src/SDAIonicStepper.C
+0
-0
SDAIonicStepper.h
src/SDAIonicStepper.h
+0
-0
SDCellStepper.C
src/SDCellStepper.C
+0
-0
SDCellStepper.h
src/SDCellStepper.h
+0
-0
SDIonicStepper.C
src/SDIonicStepper.C
+0
-0
SDIonicStepper.h
src/SDIonicStepper.h
+0
-0
SDWavefunctionStepper.C
src/SDWavefunctionStepper.C
+0
-0
SDWavefunctionStepper.h
src/SDWavefunctionStepper.h
+0
-0
Sample.h
src/Sample.h
+0
-0
SampleHandler.C
src/SampleHandler.C
+0
-0
SampleHandler.h
src/SampleHandler.h
+0
-0
SampleReader.C
src/SampleReader.C
+0
-0
SampleReader.h
src/SampleReader.h
+0
-0
SampleStepper.C
src/SampleStepper.C
+0
-0
SampleStepper.h
src/SampleStepper.h
+0
-0
SampleWriter.C
src/SampleWriter.C
+0
-0
SampleWriter.h
src/SampleWriter.h
+0
-0
SaveCmd.C
src/SaveCmd.C
+0
-0
SaveCmd.h
src/SaveCmd.h
+0
-0
SetCmd.h
src/SetCmd.h
+0
-0
SharedFilePtr.h
src/SharedFilePtr.h
+0
-0
SlaterDet.C
src/SlaterDet.C
+0
-0
SlaterDet.h
src/SlaterDet.h
+0
-0
Species.C
src/Species.C
+0
-0
Species.h
src/Species.h
+0
-0
SpeciesCmd.C
src/SpeciesCmd.C
+0
-0
SpeciesCmd.h
src/SpeciesCmd.h
+0
-0
SpeciesHandler.C
src/SpeciesHandler.C
+0
-0
SpeciesHandler.h
src/SpeciesHandler.h
+0
-0
SpeciesReader.C
src/SpeciesReader.C
+0
-0
SpeciesReader.h
src/SpeciesReader.h
+0
-0
StatusCmd.h
src/StatusCmd.h
+0
-0
StrX.h
src/StrX.h
+0
-0
Stress.h
src/Stress.h
+0
-0
StructureFactor.C
src/StructureFactor.C
+0
-0
StructureFactor.h
src/StructureFactor.h
+0
-0
StructureHandler.h
src/StructureHandler.h
+0
-0
StructuredDocumentHandler.C
src/StructuredDocumentHandler.C
+0
-0
StructuredDocumentHandler.h
src/StructuredDocumentHandler.h
+0
-0
ThTemp.h
src/ThTemp.h
+0
-0
ThTime.h
src/ThTime.h
+0
-0
ThWidth.h
src/ThWidth.h
+0
-0
Thermostat.h
src/Thermostat.h
+0
-0
Timer.h
src/Timer.h
+0
-0
TorsionCmd.h
src/TorsionCmd.h
+0
-0
TorsionConstraint.C
src/TorsionConstraint.C
+0
-0
TorsionConstraint.h
src/TorsionConstraint.h
+0
-0
UnitCell.C
src/UnitCell.C
+0
-0
UnitCell.h
src/UnitCell.h
+0
-0
UserInterface.C
src/UserInterface.C
+0
-0
UserInterface.h
src/UserInterface.h
+0
-0
Wavefunction.C
src/Wavefunction.C
+0
-0
Wavefunction.h
src/Wavefunction.h
+0
-0
WavefunctionHandler.C
src/WavefunctionHandler.C
+0
-0
WavefunctionHandler.h
src/WavefunctionHandler.h
+0
-0
WavefunctionStepper.h
src/WavefunctionStepper.h
+0
-0
WfDiag.h
src/WfDiag.h
+0
-0
WfDyn.h
src/WfDyn.h
+0
-0
XCFunctional.h
src/XCFunctional.h
+0
-0
XCPotential.C
src/XCPotential.C
+0
-0
XCPotential.h
src/XCPotential.h
+0
-0
XMLGFPreprocessor.C
src/XMLGFPreprocessor.C
+0
-0
XMLGFPreprocessor.h
src/XMLGFPreprocessor.h
+0
-0
Xc.h
src/Xc.h
+0
-0
aix64_mpi.mk
src/aix64_mpi.mk
+0
-0
aix_mpi.mk
src/aix_mpi.mk
+0
-0
aix_mpi_gcc.mk
src/aix_mpi_gcc.mk
+0
-0
aix_mpip.mk
src/aix_mpip.mk
+0
-0
bgl.mk
src/bgl.mk
+0
-0
blacs.h
src/blacs.h
+0
-0
blas.h
src/blas.h
+0
-0
fpmd.mk
src/fpmd.mk
+0
-0
fpmd_sse2.mk
src/fpmd_sse2.mk
+0
-0
hbar-gcc.mk
src/hbar-gcc.mk
+0
-0
hbar-icc.mk
src/hbar-icc.mk
+0
-0
hbar2-gcc.mk
src/hbar2-gcc.mk
+0
-0
isodate.C
src/isodate.C
+0
-0
isodate.h
src/isodate.h
+0
-0
jacobi.C
src/jacobi.C
+0
-0
jacobi.h
src/jacobi.h
+0
-0
jade.C
src/jade.C
+0
-0
jade.h
src/jade.h
+0
-0
linux-pc.mk
src/linux-pc.mk
+0
-0
linux-pc_mpi.mk
src/linux-pc_mpi.mk
+0
-0
linux-pc_mpi_icc.mk
src/linux-pc_mpi_icc.mk
+0
-0
linux-pc_mpi_kcc.mk
src/linux-pc_mpi_kcc.mk
+0
-0
mcr-gcc.mk
src/mcr-gcc.mk
+0
-0
mcr.mk
src/mcr.mk
+0
-0
mcr_sse2.mk
src/mcr_sse2.mk
+0
-0
notes
src/notes
+0
-0
pavane.mk
src/pavane.mk
+0
-0
qb.C
src/qb.C
+0
-0
qbox_xmlns.C
src/qbox_xmlns.C
+0
-0
qbox_xmlns.h
src/qbox_xmlns.h
+0
-0
readTSC.C
src/readTSC.C
+0
-0
readTSC.h
src/readTSC.h
+0
-0
release.C
src/release.C
+0
-0
release.h
src/release.h
+0
-0
sinft.C
src/sinft.C
+0
-0
sinft.h
src/sinft.h
+0
-0
spline.C
src/spline.C
+0
-0
spline.h
src/spline.h
+0
-0
testAndersonMixer.C
src/testAndersonMixer.C
+0
-0
testBase64Transcoder.C
src/testBase64Transcoder.C
+0
-0
testBasis.C
src/testBasis.C
+0
-0
testBasisMapping.C
src/testBasisMapping.C
+0
-0
testChargeDensity.C
src/testChargeDensity.C
+0
-0
testContext.C
src/testContext.C
+0
-0
testEnergyFunctional.C
src/testEnergyFunctional.C
+0
-0
testFourierTransform.C
src/testFourierTransform.C
+0
-0
testLDAFunctional.C
src/testLDAFunctional.C
+0
-0
testMatrix.C
src/testMatrix.C
+0
-0
testSample.C
src/testSample.C
+0
-0
testSlaterDet.C
src/testSlaterDet.C
+0
-0
testSpecies.C
src/testSpecies.C
+0
-0
testUnitCell.C
src/testUnitCell.C
+0
-0
testWavefunction.C
src/testWavefunction.C
+0
-0
testXCFunctional.C
src/testXCFunctional.C
+0
-0
testXMLGFPreprocessor.C
src/testXMLGFPreprocessor.C
+0
-0
test_fftw.C
src/test_fftw.C
+0
-0
testjacobi.C
src/testjacobi.C
+0
-0
testjade.C
src/testjade.C
+0
-0
thunder.mk
src/thunder.mk
+0
-0
x8664_gcc.mk
src/x8664_gcc.mk
+0
-0
xmlSpecies.C
src/xmlSpecies.C
+0
-0
No files found.
src/AndersonMixer.C
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783c2a3d
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@@ -15,7 +15,7 @@
// AndersonMixer.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AndersonMixer.C,v 1.
6 2008-08-13 06:39:42
fgygi Exp $
// $Id: AndersonMixer.C,v 1.
7 2008-09-08 15:56:17
fgygi Exp $
#include "AndersonMixer.h"
#include "blas.h"
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src/AndersonMixer.h
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@@ -15,7 +15,7 @@
// AndersonMixer.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AndersonMixer.h,v 1.
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fgygi Exp $
// $Id: AndersonMixer.h,v 1.
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fgygi Exp $
#ifndef ANDERSONMIXER_H
#define ANDERSONMIXER_H
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src/AngleCmd.h
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@@ -15,7 +15,7 @@
// AngleCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleCmd.h,v 1.
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fgygi Exp $
// $Id: AngleCmd.h,v 1.
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fgygi Exp $
#ifndef ANGLECMD_H
#define ANGLECMD_H
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src/AngleConstraint.C
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@@ -15,7 +15,7 @@
// AngleConstraint.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleConstraint.C,v 1.
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// $Id: AngleConstraint.C,v 1.
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fgygi Exp $
#include "AngleConstraint.h"
#include "AtomSet.h"
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src/AngleConstraint.h
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@@ -15,7 +15,7 @@
// AngleConstraint.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AngleConstraint.h,v 1.
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fgygi Exp $
// $Id: AngleConstraint.h,v 1.
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fgygi Exp $
#ifndef ANGLECONSTRAINT_H
#define ANGLECONSTRAINT_H
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src/Atom.C
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@@ -15,7 +15,7 @@
// Atom.C:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Atom.C,v 1.
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// $Id: Atom.C,v 1.
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fgygi Exp $
#include "Atom.h"
#include <iomanip>
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src/Atom.h
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@@ -15,7 +15,7 @@
// Atom.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Atom.h,v 1.
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fgygi Exp $
// $Id: Atom.h,v 1.
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fgygi Exp $
#ifndef ATOM_H
#define ATOM_H
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src/AtomCmd.h
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@@ -15,7 +15,7 @@
// AtomCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomCmd.h,v 1.
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// $Id: AtomCmd.h,v 1.
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fgygi Exp $
#ifndef ATOMCMD_H
#define ATOMCMD_H
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src/AtomSet.C
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@@ -15,7 +15,7 @@
// AtomSet.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSet.C,v 1.2
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// $Id: AtomSet.C,v 1.2
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fgygi Exp $
#include "AtomSet.h"
#include "Species.h"
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src/AtomSet.h
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// AtomSet.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSet.h,v 1.2
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// $Id: AtomSet.h,v 1.2
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fgygi Exp $
#ifndef ATOMSET_H
#define ATOMSET_H
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src/AtomSetHandler.C
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@@ -15,7 +15,7 @@
// AtomSetHandler.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSetHandler.C,v 1.1
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fgygi Exp $
// $Id: AtomSetHandler.C,v 1.1
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#if USE_XERCES
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src/AtomSetHandler.h
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@@ -15,7 +15,7 @@
// AtomSetHandler.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomSetHandler.h,v 1.
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// $Id: AtomSetHandler.h,v 1.
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fgygi Exp $
#ifndef ATOMSETHANDLER_H
#define ATOMSETHANDLER_H
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src/AtomsDyn.h
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@@ -15,7 +15,7 @@
// AtomsDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: AtomsDyn.h,v 1.
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fgygi Exp $
// $Id: AtomsDyn.h,v 1.
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fgygi Exp $
#ifndef ATOMSDYN_H
#define ATOMSDYN_H
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src/BLYPFunctional.C
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@@ -15,7 +15,7 @@
// BLYPFunctional.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BLYPFunctional.C,v 1.
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fgygi Exp $
// $Id: BLYPFunctional.C,v 1.
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fgygi Exp $
#include <cmath>
#include <cassert>
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src/BLYPFunctional.h
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// BLYPFunctional.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BLYPFunctional.h,v 1.
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// $Id: BLYPFunctional.h,v 1.
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#ifndef BLYPFUNCTIONAL_H
#define BLYPFUNCTIONAL_H
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src/BOSampleStepper.C
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// BOSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.C,v 1.4
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// $Id: BOSampleStepper.C,v 1.4
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#include "BOSampleStepper.h"
#include "EnergyFunctional.h"
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src/BOSampleStepper.h
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// BOSampleStepper.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BOSampleStepper.h,v 1.
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// $Id: BOSampleStepper.h,v 1.
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#ifndef BOSAMPLESTEPPER_H
#define BOSAMPLESTEPPER_H
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src/Base64Transcoder.C
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// Base64Transcoder.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Base64Transcoder.C,v 1.
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// $Id: Base64Transcoder.C,v 1.
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#include "Base64Transcoder.h"
#include <iostream>
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src/Base64Transcoder.h
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// Base64Transcoder.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Base64Transcoder.h,v 1.
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// $Id: Base64Transcoder.h,v 1.
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#ifndef BASE64TRANSCODER_H
#define BASE64TRANSCODER_H
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src/Basis.C
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// Basis.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Basis.C,v 1.2
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// $Id: Basis.C,v 1.2
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#include "Basis.h"
#include "Context.h"
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src/Basis.h
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// Basis.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Basis.h,v 1.1
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// $Id: Basis.h,v 1.1
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#ifndef BASIS_H
#define BASIS_H
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src/BasisMapping.C
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// BasisMapping.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BasisMapping.C,v 1.
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// $Id: BasisMapping.C,v 1.
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#include "Basis.h"
#include "Context.h"
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src/BasisMapping.h
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// BasisMapping.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: BasisMapping.h,v 1.
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// $Id: BasisMapping.h,v 1.
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#ifndef BASISMAPPING_H
#define BASISMAPPING_H
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src/CGIonicStepper.C
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// CGIonicStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CGIonicStepper.C,v 1.
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// $Id: CGIonicStepper.C,v 1.
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#include "CGIonicStepper.h"
#include <cassert>
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src/CGIonicStepper.h
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// CGIonicStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CGIonicStepper.h,v 1.
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// $Id: CGIonicStepper.h,v 1.
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#ifndef CGIONICSTEPPER_H
#define CGIONICSTEPPER_H
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src/CPSampleStepper.C
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// CPSampleStepper.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CPSampleStepper.C,v 1.2
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// $Id: CPSampleStepper.C,v 1.2
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#include "CPSampleStepper.h"
#include "SlaterDet.h"
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src/CPSampleStepper.h
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// CPSampleStepper.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CPSampleStepper.h,v 1.
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// $Id: CPSampleStepper.h,v 1.
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#ifndef CPSAMPLESTEPPER_H
#define CPSAMPLESTEPPER_H
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src/Cell.h
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// Cell.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Cell.h,v 1.
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// $Id: Cell.h,v 1.
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#ifndef CELL_H
#define CELL_H
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src/CellDyn.h
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// CellDyn.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CellDyn.h,v 1.
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// $Id: CellDyn.h,v 1.
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#ifndef CELLDYN_H
#define CELLDYN_H
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src/CellLock.h
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// CellLock.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CellLock.h,v 1.
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// $Id: CellLock.h,v 1.
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#ifndef CELLLOCK_H
#define CELLLOCK_H
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src/CellMass.h
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// CellMass.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CellMass.h,v 1.
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// $Id: CellMass.h,v 1.
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#ifndef CELLMASS_H
#define CELLMASS_H
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src/CellStepper.h
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// CellStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: CellStepper.h,v 1.
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// $Id: CellStepper.h,v 1.
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#ifndef CELLSTEPPER_H
#define CELLSTEPPER_H
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src/ChargeDensity.C
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// ChargeDensity.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ChargeDensity.C,v 1.1
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// $Id: ChargeDensity.C,v 1.1
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#include "ChargeDensity.h"
#include "Basis.h"
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src/ChargeDensity.h
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// ChargeDensity.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ChargeDensity.h,v 1.
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// $Id: ChargeDensity.h,v 1.
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#ifndef CHARGEDENSITY_H
#define CHARGEDENSITY_H
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src/ChargeMixCoeff.h
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// ChargeMixCoeff.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ChargeMixCoeff.h,v 1.
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// $Id: ChargeMixCoeff.h,v 1.
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#ifndef CHARGEMIXCOEFF_H
#define CHARGEMIXCOEFF_H
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src/ChargeMixRcut.h
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// ChargeMixRcut.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ChargeMixRcut.h,v 1.
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// $Id: ChargeMixRcut.h,v 1.
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#ifndef CHARGEMIXRCUT_H
#define CHARGEMIXRCUT_H
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src/ComputeMLWFCmd.C
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// ComputeMLWFCmd.C:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ComputeMLWFCmd.C,v 1.
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// $Id: ComputeMLWFCmd.C,v 1.
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#include "ComputeMLWFCmd.h"
#include<iostream>
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src/ComputeMLWFCmd.h
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// ComputeMLWFCmd.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ComputeMLWFCmd.h,v 1.
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// $Id: ComputeMLWFCmd.h,v 1.
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#ifndef COMPUTEMLWFCMD_H
#define COMPUTEMLWFCMD_H
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src/ConfinementPotential.C
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// ConfinementPotential.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ConfinementPotential.C,v 1.
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// $Id: ConfinementPotential.C,v 1.
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#include "ConfinementPotential.h"
#include "Basis.h"
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src/ConfinementPotential.h
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// ConfinementPotential.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ConfinementPotential.h,v 1.
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// $Id: ConfinementPotential.h,v 1.
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#ifndef CONFINEMENTPOTENTIAL_H
#define CONFINEMENTPOTENTIAL_H
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src/Constraint.C
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// Constraint.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Constraint.C,v 1.
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// $Id: Constraint.C,v 1.
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#include "Constraint.h"
#include <iostream>
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src/Constraint.h
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// Constraint.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Constraint.h,v 1.
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// $Id: Constraint.h,v 1.
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#ifndef CONSTRAINT_H
#define CONSTRAINT_H
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src/ConstraintCmd.h
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// ConstraintCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ConstraintCmd.h,v 1.
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// $Id: ConstraintCmd.h,v 1.
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#ifndef CONSTRAINTCMD_H
#define CONSTRAINTCMD_H
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src/ConstraintSet.C
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// ConstraintSet.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ConstraintSet.C,v 1.
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// $Id: ConstraintSet.C,v 1.
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#include "ConstraintSet.h"
#include "DistanceConstraint.h"
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src/ConstraintSet.h
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// ConstraintSet.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ConstraintSet.h,v 1.
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// $Id: ConstraintSet.h,v 1.
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#ifndef CONSTRAINTSET_H
#define CONSTRAINTSET_H
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src/Context.C
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// Context.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Context.C,v 1.1
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// $Id: Context.C,v 1.1
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#include "Context.h"
#include <iostream>
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src/Context.h
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// Context.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Context.h,v 1.1
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// $Id: Context.h,v 1.1
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#ifndef CONTEXT_H
#define CONTEXT_H
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src/Control.h
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// Control.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Control.h,v 1.1
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// $Id: Control.h,v 1.1
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#ifndef CONTROL_H
#define CONTROL_H
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src/D3vector.h
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// double 3-vectors
//
////////////////////////////////////////////////////////////////////////////////
// $Id: D3vector.h,v 1.
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// $Id: D3vector.h,v 1.
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#ifndef D3VECTOR_H
#define D3VECTOR_H
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src/Debug.h
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// Debug.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Debug.h,v 1.
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// $Id: Debug.h,v 1.
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#ifndef DEBUG_H
#define DEBUG_H
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src/DistanceCmd.h
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// DistanceCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: DistanceCmd.h,v 1.
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// $Id: DistanceCmd.h,v 1.
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#ifndef DISTANCECMD_H
#define DISTANCECMD_H
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src/DistanceConstraint.C
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// DistanceConstraint.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: DistanceConstraint.C,v 1.
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// $Id: DistanceConstraint.C,v 1.
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#include "DistanceConstraint.h"
#include "AtomSet.h"
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src/DistanceConstraint.h
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// DistanceConstraint.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: DistanceConstraint.h,v 1.
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// $Id: DistanceConstraint.h,v 1.
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#ifndef DISTANCECONSTRAINT_H
#define DISTANCECONSTRAINT_H
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src/Dt.h
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// Dt.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Dt.h,v 1.
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// $Id: Dt.h,v 1.
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#ifndef DT_H
#define DT_H
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src/Ecut.h
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// Ecut.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Ecut.h,v 1.
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// $Id: Ecut.h,v 1.
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#ifndef ECUT_H
#define ECUT_H
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src/Ecutprec.h
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// Ecutprec.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Ecutprec.h,v 1.
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// $Id: Ecutprec.h,v 1.
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#ifndef ECUTPREC_H
#define ECUTPREC_H
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src/Ecuts.h
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// Ecuts.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Ecuts.h,v 1.
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// $Id: Ecuts.h,v 1.
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fgygi Exp $
#ifndef ECUTS_H
#define ECUTS_H
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src/Emass.h
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// Emass.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: Emass.h,v 1.
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// $Id: Emass.h,v 1.
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fgygi Exp $
#ifndef EMASS_H
#define EMASS_H
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src/EnergyFunctional.C
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@@ -15,7 +15,7 @@
// EnergyFunctional.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: EnergyFunctional.C,v 1.3
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fgygi Exp $
// $Id: EnergyFunctional.C,v 1.3
3 2008-09-08 15:56:18
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#include "EnergyFunctional.h"
#include "Sample.h"
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src/EnergyFunctional.h
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@@ -15,7 +15,7 @@
// EnergyFunctional.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: EnergyFunctional.h,v 1.1
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fgygi Exp $
// $Id: EnergyFunctional.h,v 1.1
9 2008-09-08 15:56:18
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#ifndef ENERGYFUNCTIONAL_H
#define ENERGYFUNCTIONAL_H
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src/ExtStress.h
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@@ -15,7 +15,7 @@
// ExtStress.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: ExtStress.h,v 1.
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// $Id: ExtStress.h,v 1.
5 2008-09-08 15:56:18
fgygi Exp $
#ifndef EXTSTRESS_H
#define EXTSTRESS_H
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src/FermiTemp.h
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@@ -15,7 +15,7 @@
// FermiTemp.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: FermiTemp.h,v 1.
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// $Id: FermiTemp.h,v 1.
4 2008-09-08 15:56:18
fgygi Exp $
#ifndef FERMITEMP_H
#define FERMITEMP_H
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src/FoldInWsCmd.h
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@@ -15,7 +15,7 @@
// FoldInWsCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: FoldInWsCmd.h,v 1.
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fgygi Exp $
// $Id: FoldInWsCmd.h,v 1.
3 2008-09-08 15:56:18
fgygi Exp $
#ifndef FOLDINWSCMD_H
#define FOLDINWSCMD_H
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src/FourierTransform.C
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@@ -15,7 +15,7 @@
// FourierTransform.C
//
////////////////////////////////////////////////////////////////////////////////
// $Id: FourierTransform.C,v 1.
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fgygi Exp $
// $Id: FourierTransform.C,v 1.
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fgygi Exp $
// The following macros must be defined: USE_FFTW, USE_ESSL, USE_ESSL_2DFFT
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src/FourierTransform.h
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@@ -15,7 +15,7 @@
// FourierTransform.h
//
////////////////////////////////////////////////////////////////////////////////
// $Id: FourierTransform.h,v 1.1
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fgygi Exp $
// $Id: FourierTransform.h,v 1.1
3 2008-09-08 15:56:18
fgygi Exp $
#ifndef FOURIERTRANSFORM_H
#define FOURIERTRANSFORM_H
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src/HelpCmd.h
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@@ -15,7 +15,7 @@
// HelpCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: HelpCmd.h,v 1.
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// $Id: HelpCmd.h,v 1.
4 2008-09-08 15:56:18
fgygi Exp $
#ifndef HELPCMD_H
#define HELPCMD_H
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src/IonicStepper.h
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@@ -15,7 +15,7 @@
// IonicStepper.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: IonicStepper.h,v 1.1
0 2008-08-13 06:39:43
fgygi Exp $
// $Id: IonicStepper.h,v 1.1
1 2008-09-08 15:56:18
fgygi Exp $
#ifndef IONICSTEPPER_H
#define IONICSTEPPER_H
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src/KpointCmd.h
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@@ -15,7 +15,7 @@
// KpointCmd.h:
//
////////////////////////////////////////////////////////////////////////////////
// $Id: KpointCmd.h,v 1.
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// $Id: KpointCmd.h,v 1.
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#ifndef KPOINTCMD_H
#define KPOINTCMD_H
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src/LDAFunctional.C
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783c2a3d
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// Ceperley & Alder, parametrized by Perdew and Zunger
//
////////////////////////////////////////////////////////////////////////////////
// $Id: LDAFunctional.C,v 1.
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// $Id: LDAFunctional.C,v 1.
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#include <cmath>
#include <cassert>
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src/LDAFunctional.h
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@@ -15,7 +15,7 @@
// LDAFunctional.h
//