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Searched refs:D3dB_rr_Sum (Results 1 – 25 of 74) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F125 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),vlr_l,dcpl_mb(vall(1)))
126 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),vc, dcpl_mb(vall(1)))
127 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_wgc,dcpl_mb(vall(1)))
129 > call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_field,dcpl_mb(vall(1)))
138 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
H A Dchi_H.F128 > call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_field,dcpl_mb(vall(1)))
142 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/lib/electron/
H A Dchi_Hv4.F125 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),vlr_l,dcpl_mb(vall(1)))
126 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),vc, dcpl_mb(vall(1)))
127 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_wgc,dcpl_mb(vall(1)))
129 > call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_field,dcpl_mb(vall(1)))
138 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
H A Dchi_H.F128 > call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_field,dcpl_mb(vall(1)))
142 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/lib/WGC/
H A Dwgc.F230 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
245 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
254 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
268 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
275 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
289 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
345 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1)))
355 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho2(1)))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/lib/WGC/
H A Dwgc.F230 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
245 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
254 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
268 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
275 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
289 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dbl_mb(rho1(1)))
345 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho1(1)))
355 call D3dB_rr_Sum(1,dn,dn(1+n2ft3d*(ispin-1)),dcpl_mb(rho2(1)))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/
H A Dlcao_generate_vhxcmatrix.F76 call D3dB_rr_Sum(1,dn(1,ms),
123 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho))
158 call D3dB_rr_Sum(1,dbl_mb(xvc),
H A Dwvfnc_new_lcao_density.F297 call D3dB_rr_Sum(1,dbl_mb(dn(1)),
315 call D3dB_rr_Sum(1,dbl_mb(dn(1)+(ms-1)*n2ft3d),
328 call D3dB_rr_Sum(1,dbl_mb(dn(1)),
378 call D3dB_rr_Sum(1,dbl_mb(vall(1)),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lcao/
H A Dlcao_generate_vhxcmatrix.F76 call D3dB_rr_Sum(1,dn(1,ms),
123 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rho))
158 call D3dB_rr_Sum(1,dbl_mb(xvc),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/
H A Dpaw_psi_H.F119 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
268 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/
H A Dpaw_psi_H.F119 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
268 call D3dB_rr_Sum(1,dcpl_mb(vall(1)),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dv_mexc.F90 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
433 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
436 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
439 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
H A Dv_bwexc.F95 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
420 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
423 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
426 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
H A Dv_bwexc_euv.F106 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
503 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
506 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
509 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dv_bwexc.F95 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
420 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
423 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
426 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
H A Dv_mexc.F92 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
482 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
485 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
488 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
H A Dv_bwexc_euv.F108 call D3dB_rr_Sum(1,dn(1,1),dn(1,1),dbl_mb(rho(1)))
508 call D3dB_rr_Sum(1,dbl_mb(grupx(1)),
511 call D3dB_rr_Sum(1,dbl_mb(grupy(1)),
514 call D3dB_rr_Sum(1,dbl_mb(grupz(1)),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/
H A Dsemicore_force_a.F66 call D3dB_rr_Sum(1,xcp(1),
H A Dsemicore_force_b.F74 call D3dB_rr_Sum(1,xcp(1),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/analysis/
H A Dpspw_atom_analysis.F121 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rgx(1)))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/analysis/
H A Dpspw_atom_analysis.F121 call D3dB_rr_Sum(1,dn(1,1),dn(1,ispin),dbl_mb(rgx(1)))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/
H A Dsemicore_force_a.F66 call D3dB_rr_Sum(1,xcp(1),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/cpsp/
H A Dc_semicore_force_a.F70 call D3dB_rr_Sum(1,xcp(1),
H A Dc_semicore_force_b.F74 call D3dB_rr_Sum(1,xcp(1),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/cpsp/
H A Dc_semicore_force_a.F70 call D3dB_rr_Sum(1,xcp(1),

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