Searched defs:init_rho0 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_rho0_methods.F | 351 SUBROUTINE init_rho0(local_rho_set, qs_env, gapw_control, tddft) subroutine
358 CHARACTER(len=*), PARAMETER :: routineN = 'init_rho0', routineP = moduleN//':'//routineN argument
360 CHARACTER(LEN=default_string_length) :: unit_str
361 INTEGER :: handle, iat, iatom, ikind, l, l_rho1_max, laddg, lmaxg, maxl, maxnset, maxso, &
362 nat, natom, nchan_c, nchan_s, nkind, nr, nset, nsotot, output_unit
364 LOGICAL :: paw_atom
365 REAL(dp) :: alpha_core, eps_Vrho0, max_rpgf0_s, &
366 radius, rc_min, rc_orb, &
368 REAL(KIND=dp) :: zeff
370 TYPE(cp_logger_type), POINTER :: logger
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_rho0_methods.F | 356 SUBROUTINE init_rho0(qs_env, gapw_control, & subroutine
364 CHARACTER(len=*), PARAMETER :: routineN = 'init_rho0', routineP = moduleN//':'//routineN argument
366 CHARACTER(LEN=default_string_length) :: unit_str
367 INTEGER :: handle, iat, iatom, ikind, l, l_rho1_max, laddg, lmaxg, maxl, maxnset, maxso, &
368 nat, natom, nchan_c, nchan_s, nkind, nr, nset, nsotot, output_unit
370 LOGICAL :: my_tddft, paw_atom
371 REAL(dp) :: alpha_core, eps_Vrho0, max_rpgf0_s, &
372 radius, rc_min, rc_orb, &
374 REAL(KIND=dp) :: zeff
376 TYPE(cp_logger_type), POINTER :: logger
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