Searched defs:read_shell_coord_input (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atoms_input.F | 274 CHARACTER(len=*), PARAMETER :: routineN = 'read_shell_coord_input', & argument
278 CHARACTER(len=default_string_length) :: name_kind, unit_str
280 ALLOCATABLE, DIMENSION(:) :: at_name, at_name_c
281 INTEGER :: end_c, handle, ishell, j, nshell, &
282 output_unit, sh_index, start_c, wrd
283 INTEGER, ALLOCATABLE, DIMENSION(:) :: at_index, at_index_c
284 LOGICAL :: core_scaled_coordinates, explicit, &
285 is_ok, is_shell, my_save_mem, &
287 REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, &
289 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: r, rc
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atoms_input.F | 274 CHARACTER(len=*), PARAMETER :: routineN = 'read_shell_coord_input', & argument
278 CHARACTER(len=default_string_length) :: name_kind, unit_str
280 ALLOCATABLE, DIMENSION(:) :: at_name, at_name_c
281 INTEGER :: end_c, handle, ishell, j, nshell, &
282 output_unit, sh_index, start_c, wrd
283 INTEGER, ALLOCATABLE, DIMENSION(:) :: at_index, at_index_c
284 LOGICAL :: core_scaled_coordinates, explicit, &
285 is_ok, is_shell, my_save_mem, &
287 REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, &
289 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: r, rc
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