Searched defs:write_particle_distances (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | particle_methods.F | 609 SUBROUTINE write_particle_distances(particle_set, cell, subsys_section) subroutine
615 CHARACTER(len=*), PARAMETER :: routineN = 'write_particle_distances', & argument
616 routineP = moduleN//':'//routineN
618 CHARACTER(LEN=default_string_length) :: unit_str
619 INTEGER :: handle, iatom, iw, jatom, natom
620 INTEGER, DIMENSION(3) :: periodic
621 REAL(KIND=dp) :: conv, dab
622 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: distance_matrix
623 REAL(KIND=dp), DIMENSION(3) :: rab
624 TYPE(cp_logger_type), POINTER :: logger
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | particle_methods.F | 610 SUBROUTINE write_particle_distances(particle_set, cell, subsys_section) subroutine
616 CHARACTER(len=*), PARAMETER :: routineN = 'write_particle_distances', & argument
617 routineP = moduleN//':'//routineN
619 CHARACTER(LEN=default_string_length) :: unit_str
620 INTEGER :: handle, iatom, iw, jatom, natom
621 INTEGER, DIMENSION(3) :: periodic
622 REAL(KIND=dp) :: conv, dab
623 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: distance_matrix
624 REAL(KIND=dp), DIMENSION(3) :: rab
625 TYPE(cp_logger_type), POINTER :: logger
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