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Searched defs:rhor (Results 1 – 25 of 35) sorted by relevance

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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/
H A Dplugin_int_forces.f9037 SUBROUTINE external_wg_corr_force( rhor, force ) argument
51 REAL( DP ), INTENT(IN) :: rhor ( dfftp%nnr ) local
77 SUBROUTINE external_force_lc( rhor, force ) argument
93 REAL( DP ), INTENT(IN) :: rhor ( dfftp%nnr ) local
/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/
H A Dfft_rho.f9028 SUBROUTINE rho_r2g ( desc, rhor, rhog, v ) argument
33 REAL(dp), INTENT(in) :: rhor(:,:) local
97 SUBROUTINE rho_g2r_1 ( desc, rhog, rhor ) argument
103 REAL(dp), INTENT(out):: rhor(:) local
121 SUBROUTINE rho_g2r_2 ( desc, rhog, rhor ) argument
127 REAL(dp), INTENT(out):: rhor(:,:) local
179 SUBROUTINE rho_g2r_sum_components ( desc, rhog, rhor ) argument
185 REAL(dp), INTENT(out):: rhor(:) local
H A Dtsvdw.f90594 SUBROUTINE tsvdw_calculate(tauin, rhor) argument
605 REAL(DP), INTENT(IN) :: rhor(:) local
972 SUBROUTINE tsvdw_rhotot( rhor ) argument
977 REAL(DP), INTENT(IN) :: rhor(:) local
H A Dmore_functionals.f9061 subroutine ggablyp4(nnr,nspin,gradr,rhor,exc) argument
82 real(DP) gradr(nnr,3,nspin), rhor(nnr,nspin) local
431 subroutine ggapbe(nnr,nspin,gradr,rhor,excrho) argument
442 real(DP) gradr(nnr,3,nspin), rhor(nnr,nspin) local
790 subroutine ggapw(nnr,nspin,gradr,rhor,exc) argument
800 real(DP) gradr(nnr,3,nspin), rhor(nnr,nspin) local
1275 subroutine ggapwold(nnr,nspin,gradr,rhor,exc) argument
1290 real(DP) gradr(nnr,3), rhor(nnr), exc local
1458 subroutine expxc(nnr,nspin,rhor,exc) argument
1472 real(DP) rhor(nnr,nspin), exc local
/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/
H A Dexch_corr.f9012 subroutine exch_corr_h( nspin, rhog, rhor, rhoc, sfac, exc, dxc, self_exc ) argument
50 real(DP) :: rhor( dfftp%nnr, nspin ), rhoc( dfftp%nnr ) local
259 subroutine gradh( nspin, gradr, rhog, rhor, dexc ) argument
277 real(DP) :: gradr( 3, dfftp%nnr, nspin ), rhor( dfftp%nnr, nspin ), dexc( 3, 3 ) local
369 subroutine exch_corr_cp(nnr,nspin,grhor,rhor,etxc) argument
378 real(DP) :: rhor( nnr, nspin ) local
H A Dspinsq.f902 SUBROUTINE spinsq (c,bec,rhor) argument
43 REAL(dp) :: bec(nkb,n), rhor(dfftp%nnr,nspin) local
H A Dchargedensity.f9011 …( nfi, c_bgrp, irb, eigrb, bec_bgrp, dbec, rhovan, rhor, drhor, rhog, drhog, rhos, enl, denl, ekin… argument
77 REAL(DP) rhor(:,:) local
454 SUBROUTINE checkrho_x(nnr,nspin,rhor,rmin,rmax,rsum,rnegsum) argument
466 REAL(DP) rhor(nnr,nspin), rmin, rmax, rsum, rnegsum local
491 SUBROUTINE drhov(irb,eigrb,rhovan,drhovan,rhog,rhor,drhog,drhor) argument
520 REAL(DP), INTENT(IN) :: rhor(dfftp%nnr,nspin) local
764 SUBROUTINE rhov(irb,eigrb,rhovan,rhog,rhor) argument
796 REAL(DP), INTENT(inout):: rhor(dfftp%nnr,nspin) local
H A Dplugin_utilities.f9093 SUBROUTINE v_h_of_rho_r( rhor, ehart, charge, v ) argument
118 REAL(DP), INTENT(IN) :: rhor(dfftp%nnr, nspin) local
H A Dnlcc.f9091 subroutine add_cc( rhoc, rhog, rhor ) argument
114 REAL(DP), INTENT(INOUT):: rhor( dfftp%nnr, nspin ) local
H A Dinner_loop_cold.f9011 rhor, rhog, rhos, rhoc, ei1, ei2, ei3, & argument
71 REAL(kind=DP) :: rhor( dfftp%nnr, nspin ) local
311 rhor, rhog, rhos, rhoc, ei1, ei2, ei3, & argument
362 REAL(kind=DP) :: rhor( dfftp%nnr, nspin ) local
H A Dvofrho.f909 SUBROUTINE vofrho_x( nfi, rhor, drhor, rhog, drhog, rhos, rhoc, tfirst, & argument
71 REAL(DP) :: rhor(:,:), drhor(:,:,:,:), rhos(:,:), fion(:,:) local
H A Dksstates.f90155 REAL(DP), ALLOCATABLE :: rhor(:,:) local
H A Dcg_sub.f9012 rhor, rhog, rhos, rhoc, ei1, ei2, ei3, sfac, fion, ema0bg, becdr, & argument
76 real(dp) :: rhor(dfftp%nnr,nspin) local
H A Dcp_interfaces.f90238 REAL(DP) rhor(:,:) local
255 REAL(DP) :: rhor(nnr,nspin), rmin, rmax, rsum, rnegsum local
634 REAL(DP) :: bec( :, : ), rhor( :, : ), rhos( :, : ) local
839 REAL(DP) :: rhor(:,:), drhor(:,:,:,:), rhos(:,:), fion(:,:) local
H A Dmainvar.f9086 REAL(DP), ALLOCATABLE :: rhor(:,:), rhos(:,:) variable
H A Dortho_base.f90264 SUBROUTINE ortho_iterate( iter, diff, u, ldx, diag, xloc, nx0, sig, rhor, rhos, tau, nss, idesc ) argument
286 REAL(DP) :: rhor( ldx, ldx ) local
422 SUBROUTINE ortho_alt_iterate( iter, diff, u, ldx, diag, xloc, nx0, sig, rhor, tau, nss, idesc ) argument
438 REAL(DP) :: rhor( ldx, ldx ) local
/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/
H A Dchdens_bspline.f9013 SUBROUTINE bspline_interpolation (nptx, rg, rhor, rhoint) argument
27 real(dp), intent(in) :: rhor(dfftp%nr1x,dfftp%nr2x,dfftp%nr3x) local
116 SUBROUTINE plot_1d_bspline (nptx, m1, x0, e, rhor, alat, iflag, ounit) argument
128 real(dp), intent(in) :: rhor(dfftp%nr1x,dfftp%nr2x,dfftp%nr3x) local
160 SUBROUTINE plot_2d_bspline (nx, ny, m1, m2, x0, e1, e2, rhor, alat, & argument
174 real(dp), intent(in) :: rhor(dfftp%nr1x,dfftp%nr2x,dfftp%nr3x) local
246 SUBROUTINE plot_3d_bspline (alat, at, nat, tau, atm, ityp, rhor, & argument
261 real(dp), intent(in) :: rhor(dfftp%nr1x,dfftp%nr2x,dfftp%nr3x) local
H A Dxctest.f9016 real(DP), ALLOCATABLE :: rhor( :, : ) variable
46 SUBROUTINE test_gcxc( nnr, nspin, rhor, grhor ) argument
53 real(DP) :: rhor( nnr, nspin ) local
129 SUBROUTINE test_xc( nnr, nspin, rhor, grhor ) argument
135 real(DP) :: rhor( nnr, nspin ) local
/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/
H A Dpair_eam.h39 double **frho, **rhor, **z2r; variable
81 double *frho, *rhor, *zr; member
91 double **frho, **rhor, ***z2r; member
100 double **frho, ***rhor, ***z2r; member
H A Dpair_adp.h57 double **frho, **rhor, **z2r; variable
75 double **frho, **rhor, ***z2r; member
/dports/science/qbox/qbox-public-rel1_73_3/src/
H A DChargeDensity.h53 std::vector<std::vector<double> > rhor; // rhor[ispin][i] variable
H A DExternalPotential.cpp212 const std::vector<std::vector<double> > &rhor = cd.rhor; in compute_eext() local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw/
H A Dpw_poisson_methods.F265 TYPE(pw_type), POINTER :: rhog, rhor, tmpg, vhartree_rs local
/dports/science/cp2k-data/cp2k-7.1.0/src/pw/
H A Dpw_poisson_methods.F265 TYPE(pw_type), POINTER :: rhog, rhor, tmpg, vhartree_rs local
/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/
H A Ddrawmap.cxx930 float rho[4],rhor[4],rhog[4],rhob[4]; in generate_slice() local

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