Searched refs:LForces (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gpw_forces.F | 823 ALLOCATE (LForces(3, num_mm_atoms))
824 LForces = 0.0_dp
1136 LForces(1, LindMM) = ft1*qt
1137 LForces(2, LindMM) = ft2*qt
1138 LForces(3, LindMM) = ft3*qt
1167 DEALLOCATE (LForces)
1235 LForces = 0.0_dp
1314 LForces(1, LindMM) = ft1*qt
1315 LForces(2, LindMM) = ft2*qt
1316 LForces(3, LindMM) = ft3*qt
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gpw_forces.F | 823 ALLOCATE(LForces(3,num_mm_atoms))
824 LForces = 0.0_dp
1137 LForces(1,LindMM) = ft1 * qt
1138 LForces(2,LindMM) = ft2 * qt
1139 LForces(3,LindMM) = ft3 * qt
1168 DEALLOCATE(LForces)
1235 ALLOCATE(LForces(3,num_mm_atoms))
1236 LForces = 0.0_dp
1315 LForces(1,LindMM) = ft1 * qt
1316 LForces(2,LindMM) = ft2 * qt
[all …]
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