Searched refs:xc_xdm (Results 1 – 10 of 10) sorted by relevance
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | GNUmakefile | 56 xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o \
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| H A D | xc_xdm.F | 65 subroutine xc_xdm(rtdb,g_dens,g_vxc,n,nexc,exdm,fxdm,v,ml,what) subroutine
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | GNUmakefile | 57 xc_3rd_deriv.o xc_xpw86.o xc_xb86b.o xc_xdm.o \
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| H A D | xc_xdm.F | 65 subroutine xc_xdm(rtdb,g_dens,g_vxc,n,nexc,exdm,fxdm,v,ml,what) subroutine
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft_cg/ |
| H A D | dft_roks_fock.F | 456 call xc_xdm(rtdb,iv_dens(4),iv_fock(4),natoms,nexc,exdm,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft_cg/ |
| H A D | dft_roks_fock.F | 456 call xc_xdm(rtdb,iv_dens(4),iv_fock(4),natoms,nexc,exdm,
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
| H A D | dft_gradients.F | 533 call xc_xdm(rtdb,iga_dens,idum,nat,ndum,edum,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
| H A D | dft_gradients.F | 533 call xc_xdm(rtdb,iga_dens,idum,nat,ndum,edum,
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
| H A D | dft_scf.F | 1868 call xc_xdm(rtdb,g_dens,g_vxc,natoms,nexc,exdm,dum,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
| H A D | dft_scf.F | 1868 call xc_xdm(rtdb,g_dens,g_vxc,natoms,nexc,exdm,dum,
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