| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/ |
| H A D | grid_pscreen.F | 26 subroutine grid_pscreen(nqpts,qwght,qxyz,tol_rho,natoms, argument
119 subroutine grid_pcompress(nq,qwght,chi,qxyz,delchi, argument
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| H A D | grid_sic.F | 40 subroutine grid_sicpot(nqpts,qxyz,qwght,rho,delrho,amat,cmat, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/ |
| H A D | grid_pscreen.F | 26 subroutine grid_pscreen(nqpts,qwght,qxyz,tol_rho,natoms, argument
119 subroutine grid_pcompress(nq,qwght,chi,qxyz,delchi, argument
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| H A D | grid_sic.F | 40 subroutine grid_sicpot(nqpts,qxyz,qwght,rho,delrho,amat,cmat, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/rel/ |
| H A D | calc_modelpotential.F | 16 subroutine calc_modelpotential(geom,natoms,nqpts,qxyz,qwght, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/rel/ |
| H A D | calc_modelpotential.F | 16 subroutine calc_modelpotential(geom,natoms,nqpts,qxyz,qwght, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
| H A D | dftg_gridpart.F | 1 Subroutine dftg_gridpart(d_qwght,qwght, qxyz, xyz, xyzm,rq, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/ |
| H A D | grid_zoracorr.F | 4 subroutine grid_zoracorr(nqpts,qxyz,qwght,natoms,g_dens,amat) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
| H A D | dim_eval_fnl.F | 3 Subroutine dim_eval_fnl(ptnl,nq,qwght,xyz,qxyz,npert, argument
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| H A D | dim_grid_quadv0b.F | 1 subroutine dim_grid_quadv0b(ictr_buf, qxyz, qwght, nqpts, rad, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/ |
| H A D | grid_zoracorr.F | 4 subroutine grid_zoracorr(nqpts,qxyz,qwght,natoms,g_dens,amat) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
| H A D | dftg_gridpart.F | 1 Subroutine dftg_gridpart(d_qwght,qwght, qxyz, xyz, xyzm,rq, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
| H A D | dim_eval_fnl.F | 3 Subroutine dim_eval_fnl(ptnl,nq,qwght,xyz,qxyz,npert, argument
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| H A D | dim_grid_quadv0b.F | 1 subroutine dim_grid_quadv0b(ictr_buf, qxyz, qwght, nqpts, rad, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_fd.F | 13 subroutine xc_setup_fd(tol_rho, rho, delrho, qwght, nq, ipol, GC, argument
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| H A D | xc_oep.F | 72 Subroutine total_Amat( nq, ipol, Amat, Amat_coul, qwght) argument
75 double precision Amat(nq,ipol), Amat_coul(nq), qwght(nq) local
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| H A D | setACmat.F | 68 Subroutine setACmat(delrho, Amat, Cmat, qwght, ipol, nq, GRAD, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_fd.F | 13 subroutine xc_setup_fd(tol_rho, rho, delrho, qwght, nq, ipol, GC, argument
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| H A D | xc_oep.F | 72 Subroutine total_Amat( nq, ipol, Amat, Amat_coul, qwght) argument
75 double precision Amat(nq,ipol), Amat_coul(nq), qwght(nq) local
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| H A D | setACmat.F | 68 Subroutine setACmat(delrho, Amat, Cmat, qwght, ipol, nq, GRAD, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_c_scan.F | 37 Subroutine nwpwxc_c_scan(tol_rho, ipol, nq, qwght, rho, argument
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| H A D | nwpwxc_x_scan.F | 39 Subroutine nwpwxc_x_scan(tol_rho,ipol,nq,qwght,rho,delrho, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/nwpwxc/ |
| H A D | nwpwxc_c_scan.F | 37 Subroutine nwpwxc_c_scan(tol_rho, ipol, nq, qwght, rho, argument
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| H A D | nwpwxc_x_scan.F | 39 Subroutine nwpwxc_x_scan(tol_rho,ipol,nq,qwght,rho,delrho, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/libxc/ |
| H A D | nwchem_libxc_compute.F | 1 subroutine nwchem_libxc_compute(nq,ex,ec,qwght,rho,delrho,ttau, argument
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