Searched defs:write_qs_particle_coordinates (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | particle_methods.F | 545 SUBROUTINE write_qs_particle_coordinates(particle_set, qs_kind_set, subsys_section, label) subroutine
552 CHARACTER(len=*), PARAMETER :: routineN = 'write_qs_particle_coordinates', & argument
553 routineP = moduleN//':'//routineN
555 CHARACTER(LEN=2) :: element_symbol
556 CHARACTER(LEN=default_string_length) :: unit_str
557 INTEGER :: handle, iatom, ikind, iw, natom, z local
558 REAL(KIND=dp) :: conv, mass, zeff
559 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 | 546 SUBROUTINE write_qs_particle_coordinates(particle_set, qs_kind_set, subsys_section, label) subroutine
553 CHARACTER(len=*), PARAMETER :: routineN = 'write_qs_particle_coordinates', & argument
554 routineP = moduleN//':'//routineN
556 CHARACTER(LEN=2) :: element_symbol
557 CHARACTER(LEN=default_string_length) :: unit_str
558 INTEGER :: handle, iatom, ikind, iw, natom, z local
559 REAL(KIND=dp) :: conv, mass, zeff
560 TYPE(cp_logger_type), POINTER :: logger
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