Searched defs:nmr_epr_linres (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_module.F | 390 …SUBROUTINE nmr_epr_linres(linres_control, qs_env, p_env, dft_control, nmr_present, epr_present, io… subroutine
399 CHARACTER(LEN=*), PARAMETER :: routineN = 'nmr_epr_linres', routineP = moduleN//':'//routineN argument
401 INTEGER :: iB
402 LOGICAL :: do_qmmm
403 TYPE(current_env_type) :: current_env
404 TYPE(epr_env_type) :: epr_env
405 TYPE(nmr_env_type) :: nmr_env
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_module.F | 390 …SUBROUTINE nmr_epr_linres(linres_control, qs_env, p_env, dft_control, nmr_present, epr_present, io… subroutine
399 CHARACTER(LEN=*), PARAMETER :: routineN = 'nmr_epr_linres', routineP = moduleN//':'//routineN argument
401 INTEGER :: iB
402 LOGICAL :: do_qmmm
403 TYPE(current_env_type) :: current_env
404 TYPE(epr_env_type) :: epr_env
405 TYPE(nmr_env_type) :: nmr_env
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