/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/ |
H A D | pair_lj_charmm_coul_charmm.cpp | 62 memory->destroy(lj14_2); in ~PairLJCharmmCoulCharmm() 212 memory->create(lj14_2,n+1,n+1,"pair:lj14_2"); in allocate() 328 lj14_2[i][j] = 24.0 * eps14[i][j] * pow(sigma14[i][j],6.0); in init_one() 337 lj14_2[j][i] = lj14_2[i][j]; in init_one() 520 if (strcmp(str,"lj14_2") == 0) return (void *) lj14_2; in extract()
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H A D | pair_lj_charmmfsw_coul_charmmfsh.cpp | 90 memory->destroy(lj14_2); in ~PairLJCharmmfswCoulCharmmfsh() 238 memory->create(lj14_2,n+1,n+1,"pair:lj14_2"); in allocate() 362 lj14_2[i][j] = 24.0 * eps14[i][j] * pow(sigma14[i][j],6.0); in init_one() 371 lj14_2[j][i] = lj14_2[i][j]; in init_one() 550 if (strcmp(str,"lj14_2") == 0) return (void *) lj14_2; in extract()
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H A D | dihedral_charmm.h | 41 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | dihedral_charmmfsw.h | 46 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | pair_lj_charmm_coul_charmm.h | 52 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | pair_lj_charmmfsw_coul_charmmfsh.h | 57 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | dihedral_charmm.cpp | 260 forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]); in compute() 376 lj14_2 = (double **) force->pair->extract("lj14_2",itmp); in init_style() 380 if (!lj14_1 || !lj14_2 || !lj14_3 || !lj14_4 || !ptr) in init_style()
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H A D | dihedral_charmmfsw.cpp | 271 forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]); in compute() 394 lj14_2 = (double **) force->pair->extract("lj14_2",itmp); in init_style() 398 if (!lj14_1 || !lj14_2 || !lj14_3 || !lj14_4 || !ptr) in init_style()
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/dports/science/lammps/lammps-stable_29Sep2021/src/FEP/ |
H A D | pair_lj_charmm_coul_long_soft.h | 60 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | pair_lj_charmm_coul_long_soft.cpp | 76 memory->destroy(lj14_2); in ~PairLJCharmmCoulLongSoft() 617 memory->create(lj14_2,n+1,n+1,"pair:lj14_2"); in allocate() 768 lj14_2[i][j] = 24.0 * eps14[i][j] * pow(sigma14[i][j],6.0); in init_one() 780 lj14_2[j][i] = lj14_2[i][j]; in init_one() 982 if (strcmp(str,"lj14_2") == 0) return (void *) lj14_2; in extract()
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/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/ |
H A D | pair_lj_charmmfsw_coul_long.h | 63 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | pair_lj_charmm_coul_long.h | 63 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
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H A D | pair_lj_charmm_coul_long.cpp | 77 memory->destroy(lj14_2); in ~PairLJCharmmCoulLong() 619 memory->create(lj14_2,n+1,n+1,"pair:lj14_2"); in allocate() 777 lj14_2[i][j] = 24.0 * eps14[i][j] * pow(sigma14[i][j],6.0); in init_one() 786 lj14_2[j][i] = lj14_2[i][j]; in init_one() 990 if (strcmp(str,"lj14_2") == 0) return (void *) lj14_2; in extract()
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H A D | pair_lj_charmmfsw_coul_long.cpp | 103 memory->destroy(lj14_2); in ~PairLJCharmmfswCoulLong() 671 memory->create(lj14_2,n+1,n+1,"pair:lj14_2"); in allocate() 825 lj14_2[i][j] = 24.0 * eps14[i][j] * pow(sigma14[i][j],6.0); in init_one() 834 lj14_2[j][i] = lj14_2[i][j]; in init_one() 1045 if (strcmp(str,"lj14_2") == 0) return (void *) lj14_2; in extract()
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/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/tests/ |
H A D | mol-pair-lj_charmm_coul_charmm.yaml | 22 lj14_2 2
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H A D | mol-pair-lj_charmmfsw_coul_charmmfsw.yaml | 22 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_table.yaml | 28 lj14_2 2
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H A D | mol-pair-lj_charmmfsw_coul_long.yaml | 27 lj14_2 2
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H A D | mol-pair-lj_charmmfsw_coul_table.yaml | 28 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_long_soft.yaml | 27 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_charmm_implicit.yaml | 22 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_long.yaml | 27 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_msm.yaml | 28 lj14_2 2
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H A D | mol-pair-lj_charmm_coul_msm_table.yaml | 29 lj14_2 2
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/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
H A D | dihedral_charmm_omp.cpp | 280 forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]); in eval()
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