Searched defs:calculate_atom (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_electronic_structure.F | 57 SUBROUTINE calculate_atom(atom, iw, noguess, converged) subroutine
63 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_atom', routineP = moduleN//':'//routineN argument
65 INTEGER :: handle, method
66 LOGICAL :: explicit
67 TYPE(section_vals_type), POINTER :: sub_section
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_electronic_structure.F | 57 SUBROUTINE calculate_atom(atom, iw, noguess, converged) subroutine
63 CHARACTER(len=*), PARAMETER :: routineN = 'calculate_atom', routineP = moduleN//':'//routineN argument
65 INTEGER :: handle, method
66 LOGICAL :: explicit
67 TYPE(section_vals_type), POINTER :: sub_section
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