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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_fields_all.F171 atm_b = bond_list(j)%b
268 atm_b = bend_list(j)%b
367 atm_b = ub_list(j)%b
381 atm_b = ub_list(k)%b
593 atm_b = impr_list(j)%b
831 atm_b = bond_list(j)%b
981 atm_b = bend_list(j)%b
1155 atm_b = ub_list(j)%b
1299 atm_b = torsion_list(j)%b
1562 atm_b = impr_list(j)%b
[all …]
H A Dforce_fields_util.F549 atm_b = colv_list(icolv)%i_atoms(2)
554 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
555 IF (atm2_a == atm_b .AND. atm2_b == atm_a) unsetme = .TRUE.
576 atm_b = bend_list(ibend)%b
609 atm_b = g3x3_list(ig3x3)%b
615 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
635 atm_b = g3x3_list(ig3x3)%b
642 IF (atm2_a == atm_a .AND. atm2_b == atm_b .AND. atm2_c == atm_c) unsetme = .TRUE.
663 atm_b = g4x6_list(ig4x6)%b
670 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_fields_all.F171 atm_b = bond_list(j)%b
268 atm_b = bend_list(j)%b
367 atm_b = ub_list(j)%b
381 atm_b = ub_list(k)%b
593 atm_b = impr_list(j)%b
831 atm_b = bond_list(j)%b
981 atm_b = bend_list(j)%b
1155 atm_b = ub_list(j)%b
1299 atm_b = torsion_list(j)%b
1562 atm_b = impr_list(j)%b
[all …]
H A Dforce_fields_util.F549 atm_b = colv_list(icolv)%i_atoms(2)
554 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
555 IF (atm2_a == atm_b .AND. atm2_b == atm_a) unsetme = .TRUE.
576 atm_b = bend_list(ibend)%b
609 atm_b = g3x3_list(ig3x3)%b
615 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
635 atm_b = g3x3_list(ig3x3)%b
642 IF (atm2_a == atm_a .AND. atm2_b == atm_b .AND. atm2_c == atm_c) unsetme = .TRUE.
663 atm_b = g4x6_list(ig4x6)%b
670 IF (atm2_a == atm_a .AND. atm2_b == atm_b) unsetme = .TRUE.
[all …]