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Searched refs:lj14_2 (Results 1 – 25 of 28) sorted by relevance

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/dports/science/lammps/lammps-stable_29Sep2021/src/MOLECULE/
H A Dpair_lj_charmm_coul_charmm.cpp62 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()
H A Dpair_lj_charmmfsw_coul_charmmfsh.cpp90 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()
H A Ddihedral_charmm.h41 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Ddihedral_charmmfsw.h46 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Dpair_lj_charmm_coul_charmm.h52 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Dpair_lj_charmmfsw_coul_charmmfsh.h57 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Ddihedral_charmm.cpp260 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()
H A Ddihedral_charmmfsw.cpp271 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/FEP/
H A Dpair_lj_charmm_coul_long_soft.h60 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Dpair_lj_charmm_coul_long_soft.cpp76 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()
/dports/science/lammps/lammps-stable_29Sep2021/src/KSPACE/
H A Dpair_lj_charmmfsw_coul_long.h63 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Dpair_lj_charmm_coul_long.h63 double **lj14_1, **lj14_2, **lj14_3, **lj14_4; variable
H A Dpair_lj_charmm_coul_long.cpp77 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()
H A Dpair_lj_charmmfsw_coul_long.cpp103 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()
/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/tests/
H A Dmol-pair-lj_charmm_coul_charmm.yaml22 lj14_2 2
H A Dmol-pair-lj_charmmfsw_coul_charmmfsw.yaml22 lj14_2 2
H A Dmol-pair-lj_charmm_coul_table.yaml28 lj14_2 2
H A Dmol-pair-lj_charmmfsw_coul_long.yaml27 lj14_2 2
H A Dmol-pair-lj_charmmfsw_coul_table.yaml28 lj14_2 2
H A Dmol-pair-lj_charmm_coul_long_soft.yaml27 lj14_2 2
H A Dmol-pair-lj_charmm_coul_charmm_implicit.yaml22 lj14_2 2
H A Dmol-pair-lj_charmm_coul_long.yaml27 lj14_2 2
H A Dmol-pair-lj_charmm_coul_msm.yaml28 lj14_2 2
H A Dmol-pair-lj_charmm_coul_msm_table.yaml29 lj14_2 2
/dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/
H A Ddihedral_charmm_omp.cpp280 forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]); in eval()

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