| /dports/science/kim-api/kim-api-2.2.1/examples/model-drivers/LennardJones612__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.hpp | 208 bool & isComputeParticleEnergy,
225 const bool & isComputeParticleEnergy,
247 bool isComputeParticleEnergy,
291 bool isComputeParticleEnergy,
309 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
321 if (isComputeParticleEnergy == true) in Compute()
433 if ((isComputeEnergy == true) || (isComputeParticleEnergy == true)) in Compute()
456 if (isComputeParticleEnergy == true) in Compute()
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| H A D | LennardJones612Implementation.cpp | 171 bool isComputeParticleEnergy = false; in Compute() local
191 isComputeParticleEnergy, in Compute()
901 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
959 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1002 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1036 index += (int(isComputeParticleEnergy)) * virial * particleVirial * shift; in GetComputeIndex()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/LJ__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.hpp | 205 bool & isComputeParticleEnergy,
222 const bool & isComputeParticleEnergy,
242 bool isComputeParticleEnergy,
285 bool isComputeParticleEnergy,
303 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
315 if (isComputeParticleEnergy == true) in Compute()
426 if ((isComputeEnergy == true) || (isComputeParticleEnergy == true)) in Compute()
447 if (isComputeParticleEnergy == true) in Compute()
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| H A D | LennardJones612Implementation.cpp | 168 bool isComputeParticleEnergy = false; in Compute() local
188 isComputeParticleEnergy, in Compute()
873 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
932 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
975 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1009 index += (int(isComputeParticleEnergy)) * virial * particleVirial * shift; in GetComputeIndex()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/DUNN__MD_292677547454_000/ |
| H A D | ANNImplementation.hpp | 166 bool & isComputeParticleEnergy,
183 const bool & isComputeParticleEnergy,
192 bool isComputeParticleEnergy,
223 bool isComputeParticleEnergy,
240 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
269 if (isComputeParticleEnergy == true) in Compute()
424 if (isComputeParticleEnergy == true) in Compute()
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| H A D | ANNImplementation.cpp | 148 bool isComputeParticleEnergy = false; in Compute() local
169 isComputeParticleEnergy, in Compute()
649 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
708 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
752 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
782 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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| H A D | ANNImplementationComputeDispatch.cpp | 5 isComputeParticleEnergy,
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW_MX2__MD_242389978788_001/ |
| H A D | StillingerWeberImplementation.hpp | 187 bool & isComputeParticleEnergy,
204 const bool & isComputeParticleEnergy,
213 bool isComputeParticleEnergy,
286 bool isComputeParticleEnergy,
303 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
320 if (isComputeParticleEnergy == true) in Compute()
411 || (isComputeParticleEnergy == true)) in Compute()
438 if (isComputeParticleEnergy == true) in Compute()
575 || (isComputeParticleEnergy == true)) in Compute()
604 if (isComputeParticleEnergy == true) in Compute()
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| H A D | StillingerWeberImplementation.cpp | 181 bool isComputeParticleEnergy = false; in Compute() local
202 isComputeParticleEnergy, in Compute()
1062 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1122 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1168 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1199 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SW__MD_335816936951_004/ |
| H A D | StillingerWeberImplementation.hpp | 192 bool & isComputeParticleEnergy,
209 const bool & isComputeParticleEnergy,
218 bool isComputeParticleEnergy,
291 bool isComputeParticleEnergy,
308 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
325 if (isComputeParticleEnergy == true) in Compute()
416 || (isComputeParticleEnergy == true)) in Compute()
443 if (isComputeParticleEnergy == true) in Compute()
577 || (isComputeParticleEnergy == true)) in Compute()
606 if (isComputeParticleEnergy == true) in Compute()
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| H A D | StillingerWeberImplementation.cpp | 183 bool isComputeParticleEnergy = false; in Compute() local
204 isComputeParticleEnergy, in Compute()
1062 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1121 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1167 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1198 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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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.hpp | 285 bool & isComputeParticleEnergy,
302 const bool & isComputeParticleEnergy,
321 bool isComputeParticleEnergy,
353 bool isComputeParticleEnergy,
370 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
503 if (isComputeParticleEnergy == true) in Compute()
581 if (isComputeParticleEnergy == true) in Compute()
594 if (isComputeParticleEnergy == true) in Compute()
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| H A D | EAM_Implementation.cpp | 249 bool isComputeParticleEnergy = false; in Compute() local
269 isComputeParticleEnergy, in Compute()
1805 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1864 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1921 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1952 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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| H A D | EAM_ImplementationComputeDispatch.cpp | 5 isComputeParticleEnergy,
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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.hpp | 285 bool & isComputeParticleEnergy,
302 const bool & isComputeParticleEnergy,
321 bool isComputeParticleEnergy,
353 bool isComputeParticleEnergy,
370 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
503 if (isComputeParticleEnergy == true) in Compute()
581 if (isComputeParticleEnergy == true) in Compute()
594 if (isComputeParticleEnergy == true) in Compute()
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| H A D | EAM_Implementation.cpp | 249 bool isComputeParticleEnergy = false; in Compute() local
269 isComputeParticleEnergy, in Compute()
1805 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1864 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1921 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1952 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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| H A D | EAM_ImplementationComputeDispatch.cpp | 5 isComputeParticleEnergy,
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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.hpp | 285 bool & isComputeParticleEnergy,
302 const bool & isComputeParticleEnergy,
321 bool isComputeParticleEnergy,
353 bool isComputeParticleEnergy,
370 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
503 if (isComputeParticleEnergy == true) in Compute()
581 if (isComputeParticleEnergy == true) in Compute()
594 if (isComputeParticleEnergy == true) in Compute()
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| H A D | EAM_Implementation.cpp | 249 bool isComputeParticleEnergy = false; in Compute() local
269 isComputeParticleEnergy, in Compute()
1805 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1864 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1921 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1952 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
|
| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/EAM_QuinticClampedSpline__MD_532469991695_003/ |
| H A D | EAM_Implementation.hpp | 285 bool & isComputeParticleEnergy,
302 const bool & isComputeParticleEnergy,
321 bool isComputeParticleEnergy,
353 bool isComputeParticleEnergy,
370 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
503 if (isComputeParticleEnergy == true) in Compute()
581 if (isComputeParticleEnergy == true) in Compute()
594 if (isComputeParticleEnergy == true) in Compute()
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| H A D | EAM_Implementation.cpp | 249 bool isComputeParticleEnergy = false; in Compute() local
269 isComputeParticleEnergy, in Compute()
1805 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1864 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1921 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1952 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/SNAP__MD_536750310735_000/ |
| H A D | SNAPImplementation.hpp | 260 bool &isComputeParticleEnergy,
290 bool const isComputeParticleEnergy,
395 bool isComputeParticleEnergy,
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| H A D | SNAPImplementation.cpp | 514 bool isComputeParticleEnergy = false; in Compute() local
1793 isComputeParticleEnergy = (particleEnergy); in setComputeMutableValues()
2190 bool isComputeParticleEnergy,
2211 !isComputeParticleEnergy && in Compute()
2240 if (isComputeParticleEnergy) in Compute()
2599 if (isComputeEnergy || isComputeParticleEnergy) in Compute()
2619 if (isComputeParticleEnergy) in Compute()
2659 if (isComputeParticleEnergy) in Compute()
2835 if (isComputeParticleEnergy) in Compute()
3022 if (isComputeEnergy || isComputeParticleEnergy) in Compute()
[all …]
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/hNN__MD_435082866799_001/ |
| H A D | ANNImplementation.hpp | 183 bool & isComputeParticleEnergy,
200 const bool & isComputeParticleEnergy,
209 bool isComputeParticleEnergy,
258 bool isComputeParticleEnergy,
275 if ((isComputeEnergy == false) && (isComputeParticleEnergy == false) in Compute()
298 if (isComputeParticleEnergy == true) in Compute()
468 if (isComputeParticleEnergy) in Compute()
741 if (isComputeEnergy == true || isComputeParticleEnergy == true) in Compute()
748 if (isComputeParticleEnergy == true) { particleEnergy[i] += Ei; } in Compute()
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| H A D | ANNImplementation.cpp | 168 bool isComputeParticleEnergy = false; in Compute() local
189 isComputeParticleEnergy, in Compute()
1122 bool & isComputeParticleEnergy, in SetComputeMutableValues() argument
1181 isComputeParticleEnergy = (particleEnergy != NULL); in SetComputeMutableValues()
1227 const bool & isComputeParticleEnergy, in GetComputeIndex() argument
1257 index += (int(isComputeParticleEnergy)) * virial * particleVirial; in GetComputeIndex()
|