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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dforce_fields_all.F482 atm_d = torsion_list(j)%d
500 atm_d = torsion_list(k)%d
601 atm_d = impr_list(j)%d
619 atm_d = impr_list(k)%d
722 atm_d = opbend_list(j)%d
740 atm_d = opbend_list(k)%d
1307 atm_d = torsion_list(j)%d
1570 atm_d = impr_list(j)%d
1571 atomic_kind => particle_set(atm_d + first - 1)%atomic_kind
1762 atm_d = opbend_list(j)%d
[all …]
H A Dforce_fields_util.F505 INTEGER :: atm2_a, atm2_b, atm2_c, atm_a, atm_b, atm_c, atm_d, counter, handle, i, ibend, & local
665 atm_d = g4x6_list(ig4x6)%d
672 IF (atm2_a == atm_a .AND. atm2_b == atm_d) unsetme = .TRUE.
692 atm_d = g4x6_list(ig4x6)%d
699 IF (atm2_a == atm_b .AND. atm2_b == atm_a .AND. atm2_c == atm_d) unsetme = .TRUE.
700 IF (atm2_a == atm_c .AND. atm2_b == atm_a .AND. atm2_c == atm_d) unsetme = .TRUE.
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dforce_fields_all.F482 atm_d = torsion_list(j)%d
500 atm_d = torsion_list(k)%d
601 atm_d = impr_list(j)%d
619 atm_d = impr_list(k)%d
722 atm_d = opbend_list(j)%d
740 atm_d = opbend_list(k)%d
1307 atm_d = torsion_list(j)%d
1570 atm_d = impr_list(j)%d
1571 atomic_kind => particle_set(atm_d + first - 1)%atomic_kind
1762 atm_d = opbend_list(j)%d
[all …]
H A Dforce_fields_util.F505 INTEGER :: atm2_a, atm2_b, atm2_c, atm_a, atm_b, atm_c, atm_d, counter, handle, i, ibend, & local
665 atm_d = g4x6_list(ig4x6)%d
672 IF (atm2_a == atm_a .AND. atm2_b == atm_d) unsetme = .TRUE.
692 atm_d = g4x6_list(ig4x6)%d
699 IF (atm2_a == atm_b .AND. atm2_b == atm_a .AND. atm2_c == atm_d) unsetme = .TRUE.
700 IF (atm2_a == atm_c .AND. atm2_b == atm_a .AND. atm2_c == atm_d) unsetme = .TRUE.