Searched defs:dftb (Results 1 – 5 of 5) sorted by relevance
| /dports/science/lammps/lammps-stable_29Sep2021/src/SHOCK/ |
| H A D | fix_msst.h | 54 int dftb; // flag for use with DFTB+ variable
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_control_types.F | 291 LOGICAL :: dftb component
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| H A D | qs_neighbor_lists.F | 300 LOGICAL :: all_potential_present, almo, dftb, do_hfx, dokp, explicit, gth_potential_present, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_control_types.F | 290 LOGICAL :: dftb component
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| H A D | qs_neighbor_lists.F | 301 LOGICAL :: all_potential_present, almo, dftb, do_hfx, dokp, explicit, gth_potential_present, & local
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