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Searched refs:exdm (Results 1 – 17 of 17) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/
H A Dxc_xdm.F65 subroutine xc_xdm(rtdb,g_dens,g_vxc,n,nexc,exdm,fxdm,v,ml,what) argument
79 double precision exdm, fxdm(3,n) ! output local
205 exdm = 0
207 call grid_quadv0_gen(rtdb,g_dens,g_vxc,nexc,rho_n,exdm,1,6,
322 exdm = 0d0
347 exdm = exdm - c6(ixx,jxx) / (rvdw(ixx,jxx)**6 + r**6)
376 & exdm
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/
H A Dxc_xdm.F65 subroutine xc_xdm(rtdb,g_dens,g_vxc,n,nexc,exdm,fxdm,v,ml,what) argument
79 double precision exdm, fxdm(3,n) ! output local
205 exdm = 0
207 call grid_quadv0_gen(rtdb,g_dens,g_vxc,nexc,rho_n,exdm,1,6,
322 exdm = 0d0
347 exdm = exdm - c6(ixx,jxx) / (rvdw(ixx,jxx)**6 + r**6)
376 & exdm
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft_cg/
H A Ddft_roks_fock.F148 double precision exdm
456 call xc_xdm(rtdb,iv_dens(4),iv_fock(4),natoms,nexc,exdm,
458 exc = exc + exdm
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft_cg/
H A Ddft_roks_fock.F148 double precision exdm
456 call xc_xdm(rtdb,iv_dens(4),iv_fock(4),natoms,nexc,exdm,
458 exc = exc + exdm
/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Delectrons.f90371 elondon, edftd3, ef_up, ef_dw, exdm, ef
931 exdm = energy_xdm()
932 etot = etot + exdm
933 hwf_energy = hwf_energy + exdm
1399 IF ( lxdm ) WRITE ( stdout , 9075 ) exdm
H A Dpwcom.f90315 REAL(DP) :: exdm variable
H A Dpw_restart_new.f9093 ehart, eband, demet, edftd3, elondon, exdm
394 dispersion_energy_term = exdm/e2
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/
H A Ddft_scf.F91 double precision exdm
1868 call xc_xdm(rtdb,g_dens,g_vxc,natoms,nexc,exdm,dum,
1870 edisp = edisp + exdm
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/
H A Ddft_scf.F91 double precision exdm
1868 call xc_xdm(rtdb,g_dens,g_vxc,natoms,nexc,exdm,dum,
1870 edisp = edisp + exdm
/dports/chinese/ibus-table-chinese/ibus-table-chinese-1.8.3/tables/wubi-haifeng/
H A DCJKa.tab5861 5860 4AE3 䫣 exdm . exdm . 3443554134132511134 .
H A Dwubi-haifeng86.UTF-824697 exdm 䫣 100
/dports/chinese/brise/brise-brise-0.35/supplement/
H A Dwubi86.dict.yaml28856 䫣 exdm 3360
/dports/chinese/rime-wubi/rime-wubi-f1876f08f1d4a9696395be0070c0e8e4353c44cb/
H A Dwubi86.dict.yaml28831 䫣 exdm 3360
/dports/chinese/scim-tables/scim-tables-0.5.10/tables/zh/
H A DEZ-Big.txt.in53790 exdm 澈查
/dports/textproc/scim-table-imengine/scim-tables-0.5.10/tables/zh/
H A DEZ-Big.txt.in53790 exdm 澈查
/dports/japanese/scim-tables/scim-tables-0.5.10/tables/zh/
H A DEZ-Big.txt.in53790 exdm 澈查
/dports/korean/scim-tables/scim-tables-0.5.10/tables/zh/
H A DEZ-Big.txt.in53790 exdm 澈查