| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/DUNN__MD_292677547454_000/ |
| H A D | ANNImplementation.cpp | 411 double convertEnergy = 1.0; in ConvertUnits() local
427 &convertEnergy); in ConvertUnits()
435 if (convertEnergy != ONE or convertLength != ONE) in ConvertUnits()
437 descriptor_->convert_units(convertEnergy, convertLength); in ConvertUnits()
438 energyScale_ = convertEnergy; in ConvertUnits()
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| H A D | descriptor.h | 98 void convert_units(double convertEnergy, double convertLength);
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| H A D | descriptor.cpp | 446 void Descriptor::convert_units(double convertEnergy, double convertLength) in convert_units() argument
449 (void) convertEnergy; // avoid unused warning in convert_units()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/hNN__MD_435082866799_001/ |
| H A D | ANNImplementation.cpp | 899 double convertEnergy = 1.0; in ConvertUnits() local
915 &convertEnergy); in ConvertUnits()
922 if (convertEnergy != ONE) in ConvertUnits()
924 lj_A_ *= convertEnergy; in ConvertUnits()
926 energyScale_ = convertEnergy; in ConvertUnits()
930 if (convertEnergy != ONE or convertLength != ONE) in ConvertUnits()
931 { descriptor_->convert_units(convertEnergy, convertLength); } in ConvertUnits()
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| H A D | descriptor.h | 193 void convert_units(double convertEnergy, double convertLength);
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| H A D | descriptor.cpp | 147 void Descriptor::convert_units(double convertEnergy, double convertLength) in convert_units() argument
149 (void) convertEnergy; // avoid unused warning in convert_units()
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| /dports/science/kim-api/kim-api-2.2.1/examples/portable-models/LennardJones_Ar/ |
| H A D | LennardJones_Ar.cpp | 346 double convertEnergy = 1.0; in ConvertUnits() local
362 &convertEnergy); in ConvertUnits()
368 epsilon_ *= convertEnergy; // convert to active units in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_SigmoidalSmoothed__MD_199191711608_002/ |
| H A D | Morse_SigmoidalSmoothed.c | 588 double convertEnergy = 1.0; in model_driver_create() local
684 &convertEnergy); in model_driver_create()
699 if (convertEnergy != ONE) { epsilon *= convertEnergy; } in model_driver_create()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_QuinticSmoothed__MD_093895395358_003/ |
| H A D | Morse_QuinticSmoothed.c | 613 double convertEnergy = 1.0; in model_driver_create() local
709 &convertEnergy); in model_driver_create()
723 if (convertEnergy != ONE) { epsilon *= convertEnergy; } in model_driver_create()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_Shifted__MD_552566534109_004/ |
| H A D | Morse_Shifted.c | 644 double convertEnergy = 1.0; in model_driver_create() local
739 &convertEnergy); in model_driver_create()
753 if (convertEnergy != ONE) { epsilon *= convertEnergy; } in model_driver_create()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EDIP__MD_506186535567_002/ |
| H A D | EDIP.c | 706 double convertEnergy = 1.0; in model_driver_create() local
817 &convertEnergy); in model_driver_create()
834 if (convertEnergy != ONE) in model_driver_create()
836 A *= convertEnergy; in model_driver_create()
837 lam *= convertEnergy; in model_driver_create()
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| /dports/science/kim-api/kim-api-2.2.1/examples/model-drivers/LennardJones612__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.cpp | 581 double convertEnergy = 1.0; in ConvertUnits() local
597 &convertEnergy); in ConvertUnits()
603 if (convertEnergy != ONE) in ConvertUnits()
607 epsilons_[i] *= convertEnergy; // convert to active units in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/LJ__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.cpp | 567 double convertEnergy = 1.0; in ConvertUnits() local
583 &convertEnergy); in ConvertUnits()
589 if (convertEnergy != ONE) in ConvertUnits()
593 epsilons_[i] *= convertEnergy; // convert to active units in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SNAP__MD_536750310735_000/ |
| H A D | SNAPImplementation.cpp | 1514 double convertEnergy = ONE; in ConvertUnits() local
1530 &convertEnergy); in ConvertUnits()
1538 if (convertEnergy != ONE) in ConvertUnits()
1545 coeffelem(ielem, icoeff) *= convertEnergy; in ConvertUnits()
1550 qqr2e *= convertEnergy; in ConvertUnits()
1556 tables[nt].fplo *= convertEnergy; in ConvertUnits()
1557 tables[nt].fphi *= convertEnergy; in ConvertUnits()
1558 …for_each(tables[nt].ffile.begin(), tables[nt].ffile.end(), [&](double &f) { f *= convertEnergy; }); in ConvertUnits()
1559 …for_each(tables[nt].efile.begin(), tables[nt].efile.end(), [&](double &e) { e *= convertEnergy; }); in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Morse_EIP__MD_429561112321_002/ |
| H A D | Morse_EIP.c | 726 double convertEnergy = 1.0; in ConvertUnits() local
783 &convertEnergy); in ConvertUnits()
790 if (convertEnergy != ONE) in ConvertUnits()
794 A1s[i] *= convertEnergy; in ConvertUnits()
795 A2s[i] *= convertEnergy; in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_CubicNaturalSpline__MD_853402641673_002/ |
| H A D | EAM_Implementation.cpp | 1466 double convertEnergy = 1.0; in ConvertUnits() local
1482 &convertEnergy); in ConvertUnits()
1489 if (convertEnergy != ONE) in ConvertUnits()
1494 { embeddingData_[i][j] *= convertEnergy; } in ConvertUnits()
1503 if (convertLength != ONE && convertEnergy != ONE) in ConvertUnits()
1510 { rPhiData_[i][j][k] *= convertLength * convertEnergy; } in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_Dynamo__MD_120291908751_005/ |
| H A D | EAM_Implementation.cpp | 1466 double convertEnergy = 1.0; in ConvertUnits() local
1482 &convertEnergy); in ConvertUnits()
1489 if (convertEnergy != ONE) in ConvertUnits()
1494 { embeddingData_[i][j] *= convertEnergy; } in ConvertUnits()
1503 if (convertLength != ONE && convertEnergy != ONE) in ConvertUnits()
1510 { rPhiData_[i][j][k] *= convertLength * convertEnergy; } in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticClampedSpline__MD_532469991695_003/ |
| H A D | EAM_Implementation.cpp | 1466 double convertEnergy = 1.0; in ConvertUnits() local
1482 &convertEnergy); in ConvertUnits()
1489 if (convertEnergy != ONE) in ConvertUnits()
1494 { embeddingData_[i][j] *= convertEnergy; } in ConvertUnits()
1503 if (convertLength != ONE && convertEnergy != ONE) in ConvertUnits()
1510 { rPhiData_[i][j][k] *= convertLength * convertEnergy; } in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticHermiteSpline__MD_029719603993_003/ |
| H A D | EAM_Implementation.cpp | 1466 double convertEnergy = 1.0; in ConvertUnits() local
1482 &convertEnergy); in ConvertUnits()
1489 if (convertEnergy != ONE) in ConvertUnits()
1494 { embeddingData_[i][j] *= convertEnergy; } in ConvertUnits()
1503 if (convertLength != ONE && convertEnergy != ONE) in ConvertUnits()
1510 { rPhiData_[i][j][k] *= convertLength * convertEnergy; } in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW_MX2__MD_242389978788_001/ |
| H A D | StillingerWeberImplementation.cpp | 654 double convertEnergy = 1.0; in ConvertUnits() local
670 &convertEnergy); in ConvertUnits()
680 { A_[i] *= convertEnergy; } in ConvertUnits()
682 { lambda_[i] *= convertEnergy; } in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW__MD_335816936951_004/ |
| H A D | StillingerWeberImplementation.cpp | 659 double convertEnergy = 1.0; in ConvertUnits() local
675 &convertEnergy); in ConvertUnits()
686 A_[i] *= convertEnergy; in ConvertUnits()
687 lambda_[i] *= convertEnergy; in ConvertUnits()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/MFF__MD_514777050453_001/ |
| H A D | MFF.c | 3076 double convertEnergy = 1.0; in ConvertUnits() local
3128 &convertEnergy); in ConvertUnits()
3135 if (convertEnergy != ONE) in ConvertUnits()
3139 A[i] *= convertEnergy; in ConvertUnits()
3140 lambda[i] *= convertEnergy; in ConvertUnits()
3141 lambda_2[i] *= convertEnergy; in ConvertUnits()
3142 epsilon[i] *= convertEnergy; in ConvertUnits()
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| /dports/science/mcstas-comps/mcstas-comps-2.5-src/contrib/ |
| H A D | ViewModISIS.comp | 118 double convertEnergy(double);
408 convertEnergy(double E)
1051 rtE0=convertEnergy(E0);
1052 rtE1=convertEnergy(E1);
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