bragg_slater_radii Module

@brief Bragg-Slater radii for determining the relative size of the polyhedra in the polyatomic integration scheme


Uses

  • module~~bragg_slater_radii~~UsesGraph module~bragg_slater_radii bragg_slater_radii module~precision precision module~bragg_slater_radii->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Used by

  • module~~bragg_slater_radii~~UsedByGraph module~bragg_slater_radii bragg_slater_radii module~mod_dft_molgrid mod_dft_molgrid module~mod_dft_molgrid->module~bragg_slater_radii module~dft dft module~dft->module~mod_dft_molgrid module~mod_dft_fuzzycell mod_dft_fuzzycell module~mod_dft_fuzzycell->module~mod_dft_molgrid module~mod_dft_gridint mod_dft_gridint module~mod_dft_gridint->module~mod_dft_molgrid module~tdhf_z_vector_mod tdhf_z_vector_mod module~tdhf_z_vector_mod->module~mod_dft_molgrid proc~derexc_blk derexc_blk proc~derexc_blk->module~mod_dft_molgrid proc~derexc_blk->module~mod_dft_gridint proc~dmatd_blk dmatd_blk proc~dmatd_blk->module~mod_dft_molgrid proc~dmatd_blk->module~mod_dft_gridint proc~hf_energy hf_energy proc~hf_energy->module~mod_dft_molgrid proc~hf_energy->module~dft proc~hf_gradient hf_gradient proc~hf_gradient->module~mod_dft_molgrid proc~hf_gradient->module~dft proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->module~mod_dft_molgrid proc~oqp_tdhf_z_vector->module~dft module~mod_dft_gridint_fxc mod_dft_gridint_fxc proc~oqp_tdhf_z_vector->module~mod_dft_gridint_fxc module~mod_dft_gridint_gxc mod_dft_gridint_gxc proc~oqp_tdhf_z_vector->module~mod_dft_gridint_gxc proc~scf_driver scf_driver proc~scf_driver->module~mod_dft_molgrid proc~scf_driver->module~dft proc~tddft_fxc tddft_fxc proc~tddft_fxc->module~mod_dft_molgrid proc~tddft_fxc->module~mod_dft_gridint proc~tddft_gxc tddft_gxc proc~tddft_gxc->module~mod_dft_molgrid proc~tddft_gxc->module~mod_dft_gridint proc~tddft_xc_gradient tddft_xc_gradient proc~tddft_xc_gradient->module~mod_dft_molgrid proc~tddft_xc_gradient->module~mod_dft_gridint proc~tdhf_energy tdhf_energy proc~tdhf_energy->module~mod_dft_molgrid proc~tdhf_energy->module~dft proc~tdhf_energy->module~mod_dft_gridint_fxc proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->module~mod_dft_molgrid proc~tdhf_gradient->module~dft module~mod_dft_gridint_tdxc_grad mod_dft_gridint_tdxc_grad proc~tdhf_gradient->module~mod_dft_gridint_tdxc_grad proc~utddft_fxc utddft_fxc proc~utddft_fxc->module~mod_dft_molgrid proc~utddft_fxc->module~mod_dft_gridint proc~utddft_xc_gradient utddft_xc_gradient proc~utddft_xc_gradient->module~mod_dft_molgrid proc~utddft_xc_gradient->module~mod_dft_gridint module~mod_dft_gridint_energy mod_dft_gridint_energy module~mod_dft_gridint_energy->module~mod_dft_gridint module~mod_dft_gridint_fxc->module~mod_dft_gridint module~mod_dft_gridint_grad mod_dft_gridint_grad module~mod_dft_gridint_grad->module~mod_dft_gridint module~mod_dft_gridint_gxc->module~mod_dft_gridint module~mod_dft_gridint_gxc->module~mod_dft_gridint_fxc module~mod_dft_gridint_tdxc_grad->module~mod_dft_gridint proc~dftder dftder proc~dftder->module~mod_dft_gridint_grad proc~dftexcor dftexcor proc~dftexcor->module~mod_dft_gridint_energy

Variables

Type Visibility Attributes Name Initial
integer, public, parameter :: BRSL_NUM_ELEMENTS = 137
integer, public, parameter :: BRSL_TYPE_GAMESS = 0
integer, public, parameter :: BRSL_TYPE_GILL = 1
integer, public, parameter :: BRSL_TYPE_TA = 2

Subroutines

public subroutine set_bragg_slater(array, bstype)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(out) :: array(:)
integer, intent(in) :: bstype