Searched defs:force_field_unique_tors (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_fields_all.F | 425 SUBROUTINE force_field_unique_tors(particle_set, & subroutine
433 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_unique_tors', & argument
434 routineP = moduleN//':'//routineN
436 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_a2, name_atm_b, &
437 name_atm_b2, name_atm_c, name_atm_c2, &
438 name_atm_d, name_atm_d2
439 INTEGER :: atm_a, atm_b, atm_c, atm_d, counter, &
440 first, handle2, i, j, k, last, natom, &
441 ntorsion
444 LOGICAL :: found
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_fields_all.F | 425 SUBROUTINE force_field_unique_tors(particle_set, & subroutine
433 CHARACTER(len=*), PARAMETER :: routineN = 'force_field_unique_tors', & argument
434 routineP = moduleN//':'//routineN
436 CHARACTER(LEN=default_string_length) :: name_atm_a, name_atm_a2, name_atm_b, &
437 name_atm_b2, name_atm_c, name_atm_c2, &
438 name_atm_d, name_atm_d2
439 INTEGER :: atm_a, atm_b, atm_c, atm_d, counter, &
440 first, handle2, i, j, k, last, natom, &
441 ntorsion
444 LOGICAL :: found
[all …]
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