Searched defs:restraint_functional_potential (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | cp_ddapc_util.F | 540 SUBROUTINE restraint_functional_potential(v_hartree_gspace, & subroutine
551 CHARACTER(len=*), PARAMETER :: routineN = 'restraint_functional_potential', & argument
552 routineP = moduleN//':'//routineN
554 COMPLEX(KIND=dp) :: g_corr, phase
555 INTEGER :: handle, idim, ig, igauss, iparticle, &
556 n_gauss
557 … REAL(KIND=dp) :: arg, fac, fac2, g2, gcut, gcut2, gfunc, &
558 gvec(3), rc, rc2, rvec(3), sfac, Vol, w local
559 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: cv, uv
560 TYPE(pw_type), POINTER :: g_hartree
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | cp_ddapc_util.F | 540 SUBROUTINE restraint_functional_potential(v_hartree_gspace, & subroutine
551 CHARACTER(len=*), PARAMETER :: routineN = 'restraint_functional_potential', & argument
552 routineP = moduleN//':'//routineN
554 COMPLEX(KIND=dp) :: g_corr, phase
555 INTEGER :: handle, idim, ig, igauss, iparticle, &
556 n_gauss
557 … REAL(KIND=dp) :: arg, fac, fac2, g2, gcut, gcut2, gfunc, &
558 gvec(3), rc, rc2, rvec(3), sfac, Vol, w local
559 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: cv, uv
560 TYPE(pw_type), POINTER :: g_hartree
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