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Searched refs:ecomp_AddStore2 (Results 1 – 4 of 4) sorted by relevance

/dports/science/libghemical/libghemical-3.0.0/src/
H A Dengine.cpp522 void engine::ecomp_AddStore2(int gA, int gB, int sc, double value) in ecomp_AddStore2() function in engine
540 ecomp_AddStore2(gv[0], gv[0], sc, value); in ecomp_AddStoreX()
546 ecomp_AddStore2(gv[0], gv[1], sc, value); in ecomp_AddStoreX()
570 ecomp_AddStore2(uniq[0], uniq[0], sc, value); in ecomp_AddStoreX()
582 ecomp_AddStore2(uniq[x], uniq[y], sc, valX); in ecomp_AddStoreX()
H A Deng1_mm_tripos52.cpp495 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_B_bs, t2b); in ComputeBT1()
1069 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_lj, t6a); in ComputeNBT1()
1070 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_es, t6b); in ComputeNBT1()
1255 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_lj, (t6a * t3x)); in ComputeNBT1()
1256 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_es, (t6b * t4x)); in ComputeNBT1()
H A Dengine.h299 void ecomp_AddStore2(int, int, int, double); // called in every energy evaluation!
H A Deng1_mm_default.cpp693 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_B_bs, t2b); in ComputeBT1()
1370 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_lj, t6a); in ComputeNBT1()
1371 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_es, t6b); in ComputeNBT1()
1565 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_lj, (t6a * t3x)); in ComputeNBT1()
1566 ecomp_AddStore2(iA, iB, ECOMP_DATA_IND_NB_es, (t6b * t4x)); in ComputeNBT1()