Searched defs:write_polarisability_tensor (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_polar_utils.F | 523 SUBROUTINE write_polarisability_tensor(force_env, motion_section, itimes, time, pos, act) subroutine
532 CHARACTER(LEN=*), PARAMETER :: routineN = 'write_polarisability_tensor', & argument
533 routineP = moduleN//':'//routineN
535 CHARACTER(LEN=default_string_length) :: my_act, my_pos
536 INTEGER :: iounit
537 LOGICAL :: do_raman, new_file, run_stopped
538 REAL(KIND=dp), DIMENSION(:, :), POINTER :: polar
539 TYPE(cp_logger_type), POINTER :: logger
540 TYPE(polar_env_type), POINTER :: polar_env
541 TYPE(qs_environment_type), POINTER :: qs_env
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_polar_utils.F | 523 SUBROUTINE write_polarisability_tensor(force_env, motion_section, itimes, time, pos, act) subroutine
532 CHARACTER(LEN=*), PARAMETER :: routineN = 'write_polarisability_tensor', & argument
533 routineP = moduleN//':'//routineN
535 CHARACTER(LEN=default_string_length) :: my_act, my_pos
536 INTEGER :: iounit
537 LOGICAL :: do_raman, new_file, run_stopped
538 REAL(KIND=dp), DIMENSION(:, :), POINTER :: polar
539 TYPE(cp_logger_type), POINTER :: logger
540 TYPE(polar_env_type), POINTER :: polar_env
541 TYPE(qs_environment_type), POINTER :: qs_env
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