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Searched refs:do_restraint (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dcp_ddapc_types.F70 LOGICAL :: do_restraint component
265 do_qmmm_periodic_decpl, do_restraint, & local
297 CALL section_vals_get(restraint_section, explicit=do_restraint)
303 cp_ddapc_ewald%do_restraint = do_restraint .OR. do_restraintB
H A Dcp_ddapc_util.F113 qs_env%cp_ddapc_ewald%do_restraint
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dcp_ddapc_types.F70 LOGICAL :: do_restraint component
265 do_qmmm_periodic_decpl, do_restraint, & local
297 CALL section_vals_get(restraint_section, explicit=do_restraint)
303 cp_ddapc_ewald%do_restraint = do_restraint .OR. do_restraintB
H A Dcp_ddapc_util.F113 qs_env%cp_ddapc_ewald%do_restraint