| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | atomic_kind_types.F | 141 rcov, rvdw, z, qeff, apol, cpol, mm_radius, & argument
154 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: qeff, apol, cpol, mm_radius local
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| H A D | external_potential_types.F | 90 REAL(KIND=dp) :: apol, cpol, mm_radius, qeff, & component
727 SUBROUTINE get_fist_potential(potential, name, apol, cpol, mm_radius, qeff, & argument
732 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: apol, cpol, mm_radius, qeff, & local
2574 SUBROUTINE set_fist_potential(potential, apol, cpol, qeff, mm_radius, & argument
2577 REAL(KIND=dp), INTENT(IN), OPTIONAL :: apol, cpol, qeff, mm_radius, & local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | atomic_kind_types.F | 141 rcov, rvdw, z, qeff, apol, cpol, mm_radius, & argument
154 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: qeff, apol, cpol, mm_radius local
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| H A D | external_potential_types.F | 90 REAL(KIND=dp) :: apol, cpol, mm_radius, qeff, & component
720 SUBROUTINE get_fist_potential(potential, name, apol, cpol, mm_radius, qeff, & argument
725 REAL(KIND=dp), INTENT(OUT), OPTIONAL :: apol, cpol, mm_radius, qeff, & local
2566 SUBROUTINE set_fist_potential(potential, apol, cpol, qeff, mm_radius, & argument
2569 REAL(KIND=dp), INTENT(IN), OPTIONAL :: apol, cpol, qeff, mm_radius, & local
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/gwbse/ |
| H A D | bse.cc | 277 double qeff = dq + frag.value().Gs; in printFragInfo() local
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| /dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/gwbse/ |
| H A D | bse.cc | 277 double qeff = dq + frag.value().Gs; in printFragInfo() local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | particle_methods.F | 199 factor, qeff local
487 REAL(KIND=dp) :: conv, mass, qcore, qeff, qshell local
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| H A D | topology_coordinate_util.F | 111 REAL(KIND=dp) :: bounds(2, 3), cdims(3), dims(3), qeff, & local
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| H A D | qmmm_tb_methods.F | 1269 REAL(KIND=dp) :: dr, qeff, rt1, rt2, rt3, & local
1353 … REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & local
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| H A D | force_fields_util.F | 415 REAL(KIND=dp) :: mass, mass_mol, mass_sum, qeff, & local
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| H A D | fist_nonbond_force.F | 109 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: mm_radius, qcore, qeff, qshell local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | particle_methods.F | 200 factor, qeff local
488 REAL(KIND=dp) :: conv, mass, qcore, qeff, qshell local
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| H A D | topology_coordinate_util.F | 111 REAL(KIND=dp) :: bounds(2, 3), cdims(3), dims(3), qeff, & local
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| H A D | qmmm_tb_methods.F | 1269 REAL(KIND=dp) :: dr, qeff, rt1, rt2, rt3, & local
1353 … REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & local
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| H A D | force_fields_util.F | 415 REAL(KIND=dp) :: mass, mass_mol, mass_sum, qeff, & local
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| H A D | fist_nonbond_force.F | 109 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: mm_radius, qcore, qeff, qshell local
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| /dports/science/elmerfem/elmerfem-release-9.0/fem/src/modules/ |
| H A D | Smitc.F90 | 306 REAL(KIND=dp) :: detJ,U,V,W,S,Kappa,rho,h,qeff local
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | abinitinterface.F90 | 1492 real(dp):: etxc,eexc,qeff,q00,rat local
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| H A D | pseudo.F90 | 1104 REAL(8) :: h,rc,q00,energy,rat,delta,thisconv,qeff,tq,range local
3172 REAL(8) :: h,qeff,tq,rat,q00,ecoul,etxc,eexc,occ,fac local
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