Searched refs:energy_res (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_ddapc.F | 363 SUBROUTINE cp_ddapc_apply_RS(qs_env, energy_res, v_hartree_gspace, & argument
366 REAL(KIND=dp), INTENT(INOUT), OPTIONAL :: energy_res local
429 ddapc_restraint_control, energy_res)
433 ddapc_restraint_control, energy_res)
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| H A D | cp_ddapc_forces.F | 334 charges, energy_res) argument
339 REAL(KIND=dp), INTENT(INOUT) :: energy_res local
359 … energy_res = ddapc_restraint_control%strength*(order_p - ddapc_restraint_control%target)**2.0_dp
368 energy_res = ddapc_restraint_control%strength*(order_p - ddapc_restraint_control%target)
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| H A D | cp_ddapc_util.F | 542 ddapc_restraint_control, energy_res) argument
549 REAL(KIND=dp), INTENT(INOUT) :: energy_res local
569 charges, energy_res)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_ddapc.F | 363 SUBROUTINE cp_ddapc_apply_RS(qs_env, energy_res, v_hartree_gspace, & argument
366 REAL(KIND=dp), INTENT(INOUT), OPTIONAL :: energy_res local
429 ddapc_restraint_control, energy_res)
433 ddapc_restraint_control, energy_res)
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| H A D | cp_ddapc_forces.F | 334 charges, energy_res) argument
339 REAL(KIND=dp), INTENT(INOUT) :: energy_res local
359 … energy_res = ddapc_restraint_control%strength*(order_p - ddapc_restraint_control%target)**2.0_dp
368 energy_res = ddapc_restraint_control%strength*(order_p - ddapc_restraint_control%target)
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| H A D | cp_ddapc_util.F | 542 ddapc_restraint_control, energy_res) argument
549 REAL(KIND=dp), INTENT(INOUT) :: energy_res local
569 charges, energy_res)
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