Searched refs:atm_d (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | force_fields_all.F | 482 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 …]
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H A D | force_fields_util.F | 505 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.
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | force_fields_all.F | 482 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 …]
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H A D | force_fields_util.F | 505 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.
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