Searched defs:do_qmmm (Results 1 – 7 of 7) sorted by relevance
| /dports/science/py-ase/ase-3.22.0/ase/calculators/ |
| H A D | gromacs.py | 100 do_qmmm=False, clean=True, argument
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_module.F | 402 LOGICAL :: do_qmmm local
511 LOGICAL :: do_qmmm local
|
| H A D | qs_linres_types.F | 100 … LOGICAL :: full, simple_done(6), simple_converged(6), do_qmmm component
|
| H A D | input_constants.F | 47 do_qmmm = 3, & variable
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_module.F | 402 LOGICAL :: do_qmmm local
511 LOGICAL :: do_qmmm local
|
| H A D | qs_linres_types.F | 100 … LOGICAL :: full, simple_done(6), simple_converged(6), do_qmmm component
|
| H A D | input_constants.F | 47 do_qmmm = 3, & variable
|