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Name Date Size #Lines LOC

..20-Aug-2021-

ANDIonicStepper.cppH A D20-Aug-20212.7 KiB9256

ANDIonicStepper.hH A D20-Aug-20211.1 KiB3915

AlphaPBE0.hH A D20-Aug-20211.6 KiB7545

AlphaRSH.hH A D20-Aug-20211.6 KiB7545

AndersonMixer.cppH A D20-Aug-20217.5 KiB288215

AndersonMixer.hH A D20-Aug-20211.8 KiB5730

AngleCmd.hH A D20-Aug-20213.4 KiB138107

AngleConstraint.cppH A D20-Aug-202112.5 KiB418302

AngleConstraint.hH A D20-Aug-20212.8 KiB8962

Atom.cppH A D20-Aug-20211.7 KiB5130

Atom.hH A D20-Aug-20211.4 KiB4924

AtomCmd.hH A D20-Aug-20212.6 KiB10270

AtomSet.cppH A D20-Aug-202120.7 KiB788626

AtomSet.hH A D20-Aug-20213.3 KiB9567

AtomSetHandler.cppH A D20-Aug-20216.2 KiB208143

AtomSetHandler.hH A D20-Aug-20211.9 KiB6330

AtomicExtForce.cppH A D20-Aug-20212.1 KiB6539

AtomicExtForce.hH A D20-Aug-20211.6 KiB6235

AtomsDyn.hH A D20-Aug-20211.8 KiB7949

B3LYPFunctional.cppH A D20-Aug-20218.6 KiB251191

B3LYPFunctional.hH A D20-Aug-20211.6 KiB5124

BHandHLYPFunctional.cppH A D20-Aug-20217.2 KiB216156

BHandHLYPFunctional.hH A D20-Aug-20211.6 KiB5124

BLYPFunctional.cppH A D20-Aug-202115.7 KiB478379

BLYPFunctional.hH A D20-Aug-20211.9 KiB5630

BMDIonicStepper.cppH A D20-Aug-20212.7 KiB9050

BMDIonicStepper.hH A D20-Aug-20212.3 KiB9137

BOSampleStepper.cppH A D20-Aug-202146.7 KiB1,4371,171

BOSampleStepper.hH A D20-Aug-20211.8 KiB6936

Base64Transcoder.cppH A D20-Aug-20217.8 KiB350267

Base64Transcoder.hH A D20-Aug-20211.6 KiB5224

Basis.cppH A D20-Aug-202121.9 KiB761570

Basis.hH A D20-Aug-20216.1 KiB150106

BasisMapping.cppH A D20-Aug-202121 KiB751551

BasisMapping.hH A D20-Aug-20212.6 KiB7944

BetaRSH.hH A D20-Aug-20211.6 KiB7545

Bisection.cppH A D20-Aug-202122.4 KiB801588

Bisection.hH A D20-Aug-20212.7 KiB9355

BisectionCmd.hH A D20-Aug-20214.2 KiB161126

BlHF.hH A D20-Aug-20211.8 KiB8353

BtHF.hH A D20-Aug-20211.6 KiB7545

CGCellStepper.cppH A D20-Aug-20215.5 KiB190116

CGCellStepper.hH A D20-Aug-20211.2 KiB4419

CGIonicStepper.cppH A D20-Aug-20212.8 KiB9761

CGIonicStepper.hH A D20-Aug-20211 KiB3814

CGOptimizer.cppH A D20-Aug-20214.8 KiB175118

CGOptimizer.hH A D20-Aug-20212 KiB6438

CPSampleStepper.cppH A D20-Aug-20218 KiB294222

CPSampleStepper.hH A D20-Aug-20211.4 KiB5728

Cell.hH A D20-Aug-20212 KiB8755

CellDyn.hH A D20-Aug-20211.7 KiB7444

CellLock.hH A D20-Aug-20211.9 KiB7646

CellMass.hH A D20-Aug-20211.6 KiB7142

CellStepper.cppH A D20-Aug-20212 KiB6731

CellStepper.hH A D20-Aug-20211.2 KiB4822

ChargeDensity.cppH A D20-Aug-202111.4 KiB351268

ChargeDensity.hH A D20-Aug-20212.2 KiB7745

ChargeMixCoeff.hH A D20-Aug-20211.7 KiB7042

ChargeMixNdim.hH A D20-Aug-20211.7 KiB7042

ChargeMixRcut.hH A D20-Aug-20211.7 KiB7042

ComputeMLWFCmd.cppH A D20-Aug-20213.9 KiB135103

ComputeMLWFCmd.hH A D20-Aug-20211.3 KiB5427

ConfinementPotential.cppH A D20-Aug-20212.5 KiB9049

ConfinementPotential.hH A D20-Aug-20211.4 KiB5123

Constraint.cppH A D20-Aug-2021822 287

Constraint.hH A D20-Aug-20212.1 KiB6740

ConstraintCmd.hH A D20-Aug-20212.6 KiB9567

ConstraintSet.cppH A D20-Aug-202120.4 KiB733590

ConstraintSet.hH A D20-Aug-20211.8 KiB5933

Context.cppH A D20-Aug-202113.2 KiB361236

Context.hH A D20-Aug-20216 KiB171111

Control.hH A D20-Aug-20212 KiB8752

D3tensor.hH A D20-Aug-20216.1 KiB322259

D3vector.hH A D20-Aug-20214.1 KiB176126

Debug.hH A D20-Aug-20212.2 KiB9157

DistanceCmd.hH A D20-Aug-20212.8 KiB11585

DistanceConstraint.cppH A D20-Aug-20217.1 KiB239175

DistanceConstraint.hH A D20-Aug-20212.4 KiB7952

Dspin.hH A D20-Aug-20211.7 KiB7948

Dt.hH A D20-Aug-20211.5 KiB7142

Ecut.hH A D20-Aug-20211.7 KiB8049

Ecutprec.hH A D20-Aug-20211.6 KiB7242

Ecuts.hH A D20-Aug-20211.6 KiB7242

Efield.hH A D20-Aug-20211.7 KiB7848

ElectricEnthalpy.cppH A D20-Aug-202121.6 KiB756584

ElectricEnthalpy.hH A D20-Aug-20212.4 KiB10258

Emass.hH A D20-Aug-20211.6 KiB7142

EnergyFunctional.cppH A D20-Aug-202139.9 KiB1,2771,021

EnergyFunctional.hH A D20-Aug-20213.9 KiB12891

ExchangeOperator.cppH A D20-Aug-202185.9 KiB2,5921,817

ExchangeOperator.hH A D20-Aug-20215.4 KiB194118

ExponentialIntegral.cppH A D20-Aug-20214 KiB14253

ExponentialIntegral.hH A D20-Aug-20212.4 KiB799

ExtForce.cppH A D20-Aug-2021816 287

ExtForce.hH A D20-Aug-20211.6 KiB5631

ExtForceCmd.hH A D20-Aug-20212 KiB8559

ExtForceSet.cppH A D20-Aug-202110.4 KiB406307

ExtForceSet.hH A D20-Aug-20211.3 KiB5025

ExtStress.hH A D20-Aug-20211.6 KiB7142

ExternalPotential.cppH A D20-Aug-20217.3 KiB227166

ExternalPotential.hH A D20-Aug-20212.2 KiB6638

FermiTemp.hH A D20-Aug-20211.6 KiB7142

FoldInWsCmd.hH A D20-Aug-20211.3 KiB5529

ForceTol.hH A D20-Aug-20211.6 KiB7042

FourierTransform.cppH A D20-Aug-202136.7 KiB1,280942

FourierTransform.hH A D20-Aug-20214.2 KiB14496

Function3d.cppH A D20-Aug-20216.6 KiB227168

Function3d.hH A D20-Aug-20211.1 KiB4119

Function3dHandler.cppH A D20-Aug-20216.3 KiB213182

Function3dHandler.hH A D20-Aug-20211.8 KiB5930

GlobalExtForce.cppH A D20-Aug-20212.2 KiB7145

GlobalExtForce.hH A D20-Aug-20211.4 KiB5831

HSEFunctional.cppH A D20-Aug-202133 KiB983498

HSEFunctional.hH A D20-Aug-20211.7 KiB5919

HelpCmd.hH A D20-Aug-20212.2 KiB9264

IonicStepper.hH A D20-Aug-20213.2 KiB10270

IterCmd.hH A D20-Aug-20211.6 KiB7341

IterCmdPeriod.hH A D20-Aug-20211.7 KiB7042

JDWavefunctionStepper.cppH A D20-Aug-202112.3 KiB377230

JDWavefunctionStepper.hH A D20-Aug-20211.2 KiB4520

KpointCmd.hH A D20-Aug-20213.4 KiB141115

LDAFunctional.cppH A D20-Aug-20215.8 KiB215140

LDAFunctional.hH A D20-Aug-20211.7 KiB6943

LineMinimizer.cppH A D20-Aug-20218.1 KiB264202

LineMinimizer.hH A D20-Aug-20212.2 KiB6337

ListAtomsCmd.hH A D20-Aug-20211.4 KiB5934

ListSpeciesCmd.hH A D20-Aug-20211.4 KiB5934

LoadCmd.cppH A D20-Aug-20211.7 KiB7038

LoadCmd.hH A D20-Aug-20211.3 KiB5125

MDIonicStepper.cppH A D20-Aug-20218.3 KiB267197

MDIonicStepper.hH A D20-Aug-20212.4 KiB9843

MDWavefunctionStepper.cppH A D20-Aug-20219.7 KiB289208

MDWavefunctionStepper.hH A D20-Aug-20211.3 KiB4721

MLWFTransform.cppH A D20-Aug-20219.4 KiB315226

MLWFTransform.hH A D20-Aug-20212.3 KiB8752

MPIdata.cppH A D20-Aug-20213.9 KiB12273

MPIdata.hH A D20-Aug-20212.7 KiB9261

MakefileH A D20-Aug-20218.9 KiB196166

Matrix.cppH A D20-Aug-2021108.1 KiB3,6852,966

Matrix.hH A D20-Aug-202121.4 KiB582346

MoveCmd.hH A D20-Aug-20212.7 KiB11480

MuRSH.hH A D20-Aug-20211.6 KiB7545

NameOf.hH A D20-Aug-20211 KiB3915

Nempty.hH A D20-Aug-20211.6 KiB7646

NetCharge.hH A D20-Aug-20212.1 KiB8751

NonLocalPotential.cppH A D20-Aug-202181.9 KiB2,0461,593

NonLocalPotential.hH A D20-Aug-20212.2 KiB7140

Nrowmax.hH A D20-Aug-20211.7 KiB7848

Nspin.hH A D20-Aug-20211.6 KiB7544

Occ.hH A D20-Aug-20215.2 KiB208155

PBEFunctional.cppH A D20-Aug-202115.2 KiB499339

PBEFunctional.hH A D20-Aug-20211.9 KiB5829

PSDAWavefunctionStepper.cppH A D20-Aug-20217.3 KiB250176

PSDAWavefunctionStepper.hH A D20-Aug-20211.2 KiB4619

PSDWavefunctionStepper.cppH A D20-Aug-20213.7 KiB12078

PSDWavefunctionStepper.hH A D20-Aug-20211.1 KiB4116

PairExtForce.cppH A D20-Aug-20212.5 KiB7947

PairExtForce.hH A D20-Aug-20211.6 KiB6336

PartialChargeCmd.cppH A D20-Aug-20215 KiB208146

PartialChargeCmd.hH A D20-Aug-20211.4 KiB5327

PlotCmd.cppH A D20-Aug-202115.3 KiB625507

PlotCmd.hH A D20-Aug-20211.6 KiB5731

Polarization.hH A D20-Aug-20211.7 KiB7647

PositionConstraint.cppH A D20-Aug-20213.1 KiB11271

PositionConstraint.hH A D20-Aug-20212.1 KiB7546

Preconditioner.cppH A D20-Aug-20214.8 KiB144105

Preconditioner.hH A D20-Aug-20211.3 KiB5119

PrintCmd.hH A D20-Aug-20211.6 KiB7547

QuitCmd.hH A D20-Aug-20211.2 KiB5428

RSHFunctional.cppH A D20-Aug-202133.6 KiB990501

RSHFunctional.hH A D20-Aug-20213 KiB8635

RandomizeRCmd.hH A D20-Aug-20211.7 KiB6943

RandomizeVCmd.hH A D20-Aug-20211.7 KiB6943

RandomizeWfCmd.hH A D20-Aug-20211.5 KiB6338

RefCell.hH A D20-Aug-20212.1 KiB8756

RescaleVCmd.hH A D20-Aug-20211.5 KiB6337

ResetRotationCmd.hH A D20-Aug-20211.4 KiB5529

ResetVcmCmd.hH A D20-Aug-20211.3 KiB5529

ResponseCmd.cppH A D20-Aug-202113.6 KiB516427

ResponseCmd.hH A D20-Aug-20212.3 KiB6941

RseedCmd.hH A D20-Aug-20211.6 KiB6539

RunCmd.cppH A D20-Aug-20212.6 KiB11579

RunCmd.hH A D20-Aug-20211.4 KiB5326

SCANFunctional.cppH A D20-Aug-202133.4 KiB1,021835

SCANFunctional.hH A D20-Aug-20212.1 KiB5930

SDAIonicStepper.cppH A D20-Aug-20213.5 KiB13491

SDAIonicStepper.hH A D20-Aug-20211.4 KiB5226

SDCellStepper.cppH A D20-Aug-20213.9 KiB13883

SDCellStepper.hH A D20-Aug-20211 KiB3814

SDIonicStepper.cppH A D20-Aug-20211.2 KiB3917

SDIonicStepper.hH A D20-Aug-20211 KiB3813

SDWavefunctionStepper.cppH A D20-Aug-20211.6 KiB5228

SDWavefunctionStepper.hH A D20-Aug-20211 KiB3813

Sample.hH A D20-Aug-20211.5 KiB6338

SampleHandler.cppH A D20-Aug-20213.1 KiB9554

SampleHandler.hH A D20-Aug-20211.8 KiB6330

SampleReader.cppH A D20-Aug-20215.9 KiB202130

SampleReader.hH A D20-Aug-20211.1 KiB4217

SampleStepper.cppH A D20-Aug-20214.9 KiB144106

SampleStepper.hH A D20-Aug-20211.7 KiB6634

SampleWriter.cppH A D20-Aug-20214.8 KiB176133

SampleWriter.hH A D20-Aug-20211.1 KiB4319

SaveCmd.cppH A D20-Aug-20212.2 KiB9363

SaveCmd.hH A D20-Aug-20211.6 KiB5630

ScfTol.hH A D20-Aug-20211.6 KiB7042

SetCmd.hH A D20-Aug-20211.6 KiB7344

SetVelocityCmd.hH A D20-Aug-20212.7 KiB10769

SharedFilePtr.hH A D20-Aug-20211.3 KiB5731

SlaterDet.cppH A D20-Aug-202154 KiB1,9351,371

SlaterDet.hH A D20-Aug-20213.8 KiB11990

Species.cppH A D20-Aug-202142.5 KiB1,465919

Species.hH A D20-Aug-20216.2 KiB172112

SpeciesCmd.cppH A D20-Aug-20211.7 KiB6537

SpeciesCmd.hH A D20-Aug-20211.2 KiB5024

SpeciesHandler.cppH A D20-Aug-20217.7 KiB264210

SpeciesHandler.hH A D20-Aug-20211.9 KiB6629

SpeciesReader.cppH A D20-Aug-20217 KiB239178

SpeciesReader.hH A D20-Aug-20211.2 KiB4314

SpectrumCmd.cppH A D20-Aug-20218.4 KiB283207

SpectrumCmd.hH A D20-Aug-20212 KiB6538

StatusCmd.hH A D20-Aug-20211.9 KiB7850

StrX.hH A D20-Aug-20211.9 KiB6931

StrainCmd.hH A D20-Aug-20215 KiB190142

Stress.hH A D20-Aug-20211.6 KiB7242

StressTol.hH A D20-Aug-20211.6 KiB7042

StructureFactor.cppH A D20-Aug-20214.4 KiB163107

StructureFactor.hH A D20-Aug-20212.3 KiB8038

StructureHandler.hH A D20-Aug-20211.7 KiB5524

StructuredDocumentHandler.cppH A D20-Aug-20215.9 KiB177106

StructuredDocumentHandler.hH A D20-Aug-20213.2 KiB9754

ThTemp.hH A D20-Aug-20211.6 KiB7142

ThTime.hH A D20-Aug-20211.6 KiB7142

ThWidth.hH A D20-Aug-20211.6 KiB7142

Thermostat.hH A D20-Aug-20211.7 KiB7444

Timer.hH A D20-Aug-20211.7 KiB9160

TorsionCmd.hH A D20-Aug-20214.3 KiB162128

TorsionConstraint.cppH A D20-Aug-202111.9 KiB410299

TorsionConstraint.hH A D20-Aug-20213.1 KiB9468

UnitCell.cppH A D20-Aug-202110.4 KiB391300

UnitCell.hH A D20-Aug-20213.2 KiB9953

UserInterface.cppH A D20-Aug-20219.9 KiB403282

UserInterface.hH A D20-Aug-20212.7 KiB12386

VWNFunctional.cppH A D20-Aug-20219.7 KiB345230

VWNFunctional.hH A D20-Aug-20212.2 KiB8152

VectorLess.hH A D20-Aug-20211,001 3615

Vext.hH A D20-Aug-20211.6 KiB7949

Wavefunction.cppH A D20-Aug-202133.5 KiB1,171939

Wavefunction.hH A D20-Aug-20214.4 KiB12786

WavefunctionHandler.cppH A D20-Aug-202121.5 KiB671525

WavefunctionHandler.hH A D20-Aug-20212.2 KiB7239

WavefunctionStepper.hH A D20-Aug-20211.2 KiB4823

WfDiag.hH A D20-Aug-20211.7 KiB7343

WfDyn.hH A D20-Aug-20211.7 KiB7545

XCFunctional.hH A D20-Aug-20213.1 KiB10236

XCOperator.cppH A D20-Aug-20215.2 KiB195135

XCOperator.hH A D20-Aug-20212 KiB8446

XCPotential.cppH A D20-Aug-202151.8 KiB1,3841,152

XCPotential.hH A D20-Aug-20212 KiB8048

XMLGFPreprocessor.cppH A D20-Aug-202144.9 KiB1,478966

XMLGFPreprocessor.hH A D20-Aug-20211.6 KiB428

Xc.hH A D20-Aug-20211.9 KiB8353

blacs.hH A D20-Aug-20212.7 KiB7853

blas.hH A D20-Aug-20213.8 KiB11785

cout0.cppH A D20-Aug-20211.9 KiB6635

cout0.hH A D20-Aug-2021792 276

freebsd.mkH A D03-May-20221.5 KiB4416

isodate.cppH A D20-Aug-2021905 3011

isodate.hH A D20-Aug-2021743 234

jacobi.cppH A D20-Aug-202114.6 KiB420217

jacobi.hH A D20-Aug-2021799 223

jade.cppH A D20-Aug-202120.2 KiB635400

jade.hH A D20-Aug-2021821 223

notesH A D20-Aug-202175.5 KiB1,4491,446

qb.cppH A D20-Aug-202114.8 KiB560478

qbox_xmlns.cppH A D20-Aug-2021810 245

qbox_xmlns.hH A D20-Aug-2021752 234

readTSC.cppH A D03-May-20221.3 KiB4122

readTSC.hH A D20-Aug-2021737 224

release.cppH A D20-Aug-2021760 245

release.hH A D20-Aug-2021743 234

sampling.cppH A D20-Aug-20211.9 KiB6636

sampling.hH A D20-Aug-2021789 245

sinft.cppH A D20-Aug-20214.7 KiB175137

sinft.hH A D20-Aug-2021731 212

spline.cppH A D20-Aug-20213.6 KiB169117

spline.hH A D20-Aug-2021985 235

testAndersonMixer.cppH A D20-Aug-20212.8 KiB11067

testBase64Transcoder.cppH A D20-Aug-20211.3 KiB5423

testBasis.cppH A D20-Aug-20212.4 KiB9259

testBasisMapping.cppH A D20-Aug-20213.1 KiB11477

testCGOptimizer.cppH A D20-Aug-20211.9 KiB7856

testChargeDensity.cppH A D20-Aug-20214 KiB147105

testContext.cppH A D20-Aug-20212.8 KiB10866

testEnergyFunctional.cppH A D20-Aug-20213.4 KiB13492

testFourierTransform.cppH A D20-Aug-20219.5 KiB336250

testFunction3d.cppH A D20-Aug-20212.1 KiB7547

testLDAFunctional.cppH A D20-Aug-20212.4 KiB8853

testLineMinimizer.cppH A D20-Aug-20212.5 KiB10684

testMPIdata.cppH A D20-Aug-20211.9 KiB6133

testMatrix.cppH A D20-Aug-202113.6 KiB454372

testSample.cppH A D20-Aug-20211.7 KiB6438

testSampleReader.cppH A D20-Aug-20212.2 KiB8556

testSlaterDet.cppH A D20-Aug-20215.5 KiB211154

testSpecies.cppH A D20-Aug-20213.4 KiB163120

testUnitCell.cppH A D20-Aug-20214.1 KiB147104

testVWN.cppH A D20-Aug-20211.9 KiB8966

testWavefunction.cppH A D20-Aug-20213.6 KiB13696

testXCFunctional.cppH A D20-Aug-20213.4 KiB12988

testXMLGFPreprocessor.cppH A D20-Aug-20211.9 KiB7748

test_fftw.cppH A D20-Aug-20214.7 KiB201145

test_vext.cppH A D20-Aug-20211.7 KiB6236

testjacobi.cppH A D20-Aug-20215.3 KiB197140

testjade.cppH A D20-Aug-20216.3 KiB262206

uuid_str.cppH A D20-Aug-2021956 3813

uuid_str.hH A D20-Aug-2021739 234