| /dports/science/kim-api/kim-api-2.2.1/examples/model-drivers/LennardJones612__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.hpp | 209 bool & isComputeVirial,
226 const bool & isComputeVirial,
248 bool isComputeVirial,
292 bool isComputeVirial,
311 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
317 if (isComputeVirial == true) in Compute()
418 || (isComputeVirial == true) in Compute()
475 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
492 if (isComputeVirial == true) in Compute()
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| H A D | LennardJones612Implementation.cpp | 172 bool isComputeVirial = false; in Compute() local
192 isComputeVirial, in Compute()
902 bool & isComputeVirial, in SetComputeMutableValues() argument
961 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1003 const bool & isComputeVirial, in GetComputeIndex() argument
1039 index += (int(isComputeVirial)) * 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 | 167 bool & isComputeVirial,
184 const bool & isComputeVirial,
193 bool isComputeVirial,
224 bool isComputeVirial,
242 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
260 bool need_dE = ((isComputeForces == true) || (isComputeVirial == true) in Compute()
282 if (isComputeVirial == true) in Compute()
455 if (isComputeParticleVirial == true || isComputeVirial == true) in Compute()
473 if (isComputeVirial == true) in Compute()
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| H A D | ANNImplementation.cpp | 149 bool isComputeVirial = false; in Compute() local
170 isComputeVirial, in Compute()
650 bool & isComputeVirial, in SetComputeMutableValues() argument
709 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
753 const bool & isComputeVirial, in GetComputeIndex() argument
785 index += (int(isComputeVirial)) * particleVirial; in GetComputeIndex()
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| H A D | ANNImplementationComputeDispatch.cpp | 6 isComputeVirial,
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/LJ__MD_414112407348_003/ |
| H A D | LennardJones612Implementation.hpp | 206 bool & isComputeVirial,
223 const bool & isComputeVirial,
243 bool isComputeVirial,
286 bool isComputeVirial,
305 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
311 if (isComputeVirial == true) in Compute()
411 || (isComputeVirial == true) in Compute()
467 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
484 if (isComputeVirial == true) in Compute()
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| H A D | LennardJones612Implementation.cpp | 169 bool isComputeVirial = false; in Compute() local
189 isComputeVirial, in Compute()
874 bool & isComputeVirial, in SetComputeMutableValues() argument
934 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
976 const bool & isComputeVirial, in GetComputeIndex() argument
1012 index += (int(isComputeVirial)) * particleVirial * shift; in GetComputeIndex()
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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 | 188 bool & isComputeVirial,
205 const bool & isComputeVirial,
214 bool isComputeVirial,
287 bool isComputeVirial,
305 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
326 if (isComputeVirial == true) in Compute()
400 || (isComputeForces == true) || (isComputeVirial == true) in Compute()
447 if (isComputeVirial == true) in Compute()
558 || (isComputeForces == true) || (isComputeVirial == true) in Compute()
608 if (isComputeVirial == true) in Compute()
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| H A D | StillingerWeberImplementation.cpp | 182 bool isComputeVirial = false; in Compute() local
203 isComputeVirial, in Compute()
1063 bool & isComputeVirial, in SetComputeMutableValues() argument
1123 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1169 const bool & isComputeVirial, in GetComputeIndex() argument
1202 index += (int(isComputeVirial)) * 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 | 193 bool & isComputeVirial,
210 const bool & isComputeVirial,
219 bool isComputeVirial,
292 bool isComputeVirial,
310 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
331 if (isComputeVirial == true) in Compute()
405 || (isComputeForces == true) || (isComputeVirial == true) in Compute()
452 if (isComputeVirial == true) in Compute()
560 || (isComputeForces == true) || (isComputeVirial == true) in Compute()
610 if (isComputeVirial == true) in Compute()
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| H A D | StillingerWeberImplementation.cpp | 184 bool isComputeVirial = false; in Compute() local
205 isComputeVirial, in Compute()
1063 bool & isComputeVirial, in SetComputeMutableValues() argument
1122 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1168 const bool & isComputeVirial, in GetComputeIndex() argument
1201 index += (int(isComputeVirial)) * particleVirial; in GetComputeIndex()
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| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/hNN__MD_435082866799_001/ |
| H A D | ANNImplementation.hpp | 184 bool & isComputeVirial,
201 const bool & isComputeVirial,
210 bool isComputeVirial,
259 bool isComputeVirial,
277 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
289 || (isComputeVirial == true) || (isComputeParticleVirial == true)); in Compute()
311 if (isComputeVirial == true) in Compute()
495 if (isComputeVirial == true) in Compute()
797 if (isComputeVirial == true) in Compute()
877 if (isComputeVirial == true) in Compute()
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| H A D | ANNImplementation.cpp | 169 bool isComputeVirial = false; in Compute() local
190 isComputeVirial, in Compute()
1123 bool & isComputeVirial, in SetComputeMutableValues() argument
1182 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1228 const bool & isComputeVirial, in GetComputeIndex() argument
1260 index += (int(isComputeVirial)) * 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 | 286 bool & isComputeVirial,
303 const bool & isComputeVirial,
322 bool isComputeVirial,
354 bool isComputeVirial,
372 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
386 if (isComputeVirial == true) in Compute()
675 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
692 if (isComputeVirial == true) in Compute()
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| H A D | EAM_Implementation.cpp | 250 bool isComputeVirial = false; in Compute() local
270 isComputeVirial, in Compute()
1806 bool & isComputeVirial, in SetComputeMutableValues() argument
1866 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1922 const bool & isComputeVirial, in GetComputeIndex() argument
1955 index += (int(isComputeVirial)) * particleVirial; in GetComputeIndex()
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| H A D | EAM_ImplementationComputeDispatch.cpp | 6 isComputeVirial,
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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 | 286 bool & isComputeVirial,
303 const bool & isComputeVirial,
322 bool isComputeVirial,
354 bool isComputeVirial,
372 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
386 if (isComputeVirial == true) in Compute()
675 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
692 if (isComputeVirial == true) in Compute()
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| H A D | EAM_Implementation.cpp | 250 bool isComputeVirial = false; in Compute() local
270 isComputeVirial, in Compute()
1806 bool & isComputeVirial, in SetComputeMutableValues() argument
1866 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1922 const bool & isComputeVirial, in GetComputeIndex() argument
1955 index += (int(isComputeVirial)) * particleVirial; in GetComputeIndex()
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| H A D | EAM_ImplementationComputeDispatch.cpp | 6 isComputeVirial,
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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 | 286 bool & isComputeVirial,
303 const bool & isComputeVirial,
322 bool isComputeVirial,
354 bool isComputeVirial,
372 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
386 if (isComputeVirial == true) in Compute()
675 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
692 if (isComputeVirial == true) in Compute()
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| H A D | EAM_Implementation.cpp | 250 bool isComputeVirial = false; in Compute() local
270 isComputeVirial, in Compute()
1806 bool & isComputeVirial, in SetComputeMutableValues() argument
1866 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1922 const bool & isComputeVirial, in GetComputeIndex() argument
1955 index += (int(isComputeVirial)) * particleVirial; in GetComputeIndex()
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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.hpp | 286 bool & isComputeVirial,
303 const bool & isComputeVirial,
322 bool isComputeVirial,
354 bool isComputeVirial,
372 && (isComputeProcess_d2Edr2 == false) && (isComputeVirial == false) in Compute()
386 if (isComputeVirial == true) in Compute()
675 if ((isComputeProcess_dEdr == true) || (isComputeVirial == true) in Compute()
692 if (isComputeVirial == true) in Compute()
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| H A D | EAM_Implementation.cpp | 250 bool isComputeVirial = false; in Compute() local
270 isComputeVirial, in Compute()
1806 bool & isComputeVirial, in SetComputeMutableValues() argument
1866 isComputeVirial = (virial != NULL); in SetComputeMutableValues()
1922 const bool & isComputeVirial, in GetComputeIndex() argument
1955 index += (int(isComputeVirial)) * 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 | 261 bool &isComputeVirial,
291 bool const isComputeVirial,
396 bool isComputeVirial,
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| H A D | SNAPImplementation.cpp | 515 bool isComputeVirial = false; in Compute() local
538 isComputeVirial, in Compute()
1794 isComputeVirial = (virial); in setComputeMutableValues()
2191 bool isComputeVirial,
2212 !isComputeVirial && in Compute()
2249 if (isComputeVirial) in Compute()
2472 isComputeVirial || in Compute()
2692 if (isComputeVirial || isComputeParticleVirial) in Compute()
2738 if (isComputeVirial) in Compute()
2971 if (isComputeVirial || isComputeParticleVirial) in Compute()
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