/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | plugin_int_forces.f90 | 37 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | fft_rho.f90 | 28 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
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H A D | tsvdw.f90 | 594 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
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H A D | more_functionals.f90 | 61 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/CPV/src/ |
H A D | exch_corr.f90 | 12 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
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H A D | spinsq.f90 | 2 SUBROUTINE spinsq (c,bec,rhor) argument 43 REAL(dp) :: bec(nkb,n), rhor(dfftp%nnr,nspin) local
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H A D | chargedensity.f90 | 11 …( 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
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H A D | plugin_utilities.f90 | 93 SUBROUTINE v_h_of_rho_r( rhor, ehart, charge, v ) argument 118 REAL(DP), INTENT(IN) :: rhor(dfftp%nnr, nspin) local
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H A D | nlcc.f90 | 91 subroutine add_cc( rhoc, rhog, rhor ) argument 114 REAL(DP), INTENT(INOUT):: rhor( dfftp%nnr, nspin ) local
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H A D | inner_loop_cold.f90 | 11 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
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H A D | vofrho.f90 | 9 SUBROUTINE vofrho_x( nfi, rhor, drhor, rhog, drhog, rhos, rhoc, tfirst, & argument 71 REAL(DP) :: rhor(:,:), drhor(:,:,:,:), rhos(:,:), fion(:,:) local
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H A D | ksstates.f90 | 155 REAL(DP), ALLOCATABLE :: rhor(:,:) local
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H A D | cg_sub.f90 | 12 rhor, rhog, rhos, rhoc, ei1, ei2, ei3, sfac, fion, ema0bg, becdr, & argument 76 real(dp) :: rhor(dfftp%nnr,nspin) local
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H A D | cp_interfaces.f90 | 238 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
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H A D | mainvar.f90 | 86 REAL(DP), ALLOCATABLE :: rhor(:,:), rhos(:,:) variable
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H A D | ortho_base.f90 | 264 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
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PP/src/ |
H A D | chdens_bspline.f90 | 13 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
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H A D | xctest.f90 | 16 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
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/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
H A D | pair_eam.h | 39 double **frho, **rhor, **z2r; variable 81 double *frho, *rhor, *zr; member 91 double **frho, **rhor, ***z2r; member 100 double **frho, ***rhor, ***z2r; member
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H A D | pair_adp.h | 57 double **frho, **rhor, **z2r; variable 75 double **frho, **rhor, ***z2r; member
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/dports/science/qbox/qbox-public-rel1_73_3/src/ |
H A D | ChargeDensity.h | 53 std::vector<std::vector<double> > rhor; // rhor[ispin][i] variable
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H A D | ExternalPotential.cpp | 212 const std::vector<std::vector<double> > &rhor = cd.rhor; in compute_eext() local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/pw/ |
H A D | pw_poisson_methods.F | 265 TYPE(pw_type), POINTER :: rhog, rhor, tmpg, vhartree_rs local
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/dports/science/cp2k-data/cp2k-7.1.0/src/pw/ |
H A D | pw_poisson_methods.F | 265 TYPE(pw_type), POINTER :: rhog, rhor, tmpg, vhartree_rs local
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/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/ |
H A D | drawmap.cxx | 930 float rho[4],rhor[4],rhog[4],rhob[4]; in generate_slice() local
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