name_atm_b (reference) in projects: dports

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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	force_fields_all.F	`838 CALL uppercase(name_atm_b) 992 CALL uppercase(name_atm_b) 1166 CALL uppercase(name_atm_b) 1577 CALL uppercase(name_atm_b) 1769 CALL uppercase(name_atm_b) 2600 CALL uppercase(name_atm_b) 2625 pot%at2 = name_atm_b 2683 pot%at2 = name_atm_b 2721 pot%at2 = name_atm_b 2810 pot%at2 = name_atm_b [all …]`
H A D	topology_amber.F	1377 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_b local 1390 name_atm_b = particle_set(jb(i))%atomic_kind%name 1391 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b) 1393 work_label(2, i) = name_atm_b 1466 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_b, name_atm_c local 1479 name_atm_b = particle_set(jt(i))%atomic_kind%name 1481 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b, & 1484 work_label(2, i) = name_atm_b 1584 name_atm_b = particle_set(jp(i))%atomic_kind%name 1587 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b, & [all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	force_fields_all.F	`838 CALL uppercase(name_atm_b) 992 CALL uppercase(name_atm_b) 1166 CALL uppercase(name_atm_b) 1577 CALL uppercase(name_atm_b) 1769 CALL uppercase(name_atm_b) 2600 CALL uppercase(name_atm_b) 2625 pot%at2 = name_atm_b 2683 pot%at2 = name_atm_b 2721 pot%at2 = name_atm_b 2810 pot%at2 = name_atm_b [all …]`
H A D	topology_amber.F	1377 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_b local 1390 name_atm_b = particle_set(jb(i))%atomic_kind%name 1391 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b) 1393 work_label(2, i) = name_atm_b 1466 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_b, name_atm_c local 1479 name_atm_b = particle_set(jt(i))%atomic_kind%name 1481 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b, & 1484 work_label(2, i) = name_atm_b 1584 name_atm_b = particle_set(jp(i))%atomic_kind%name 1587 l_dum = qmmm_ff_precond_only_qm(id1=name_atm_a, id2=name_atm_b, & [all …]