(git:0de0cc2)
qs_fxc.F File Reference

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Modules

module  qs_fxc
 https://en.wikipedia.org/wiki/Finite_difference_coefficient
 

Functions/Subroutines

subroutine, public qs_fxc::qs_fxc_analytic (rho0, rho1_r, tau1_r, xc_section, auxbas_pw_pool, is_triplet, v_xc, v_xc_tau)
 ... More...
 
subroutine, public qs_fxc::qs_fxc_fdiff (ks_env, rho0_struct, rho1_struct, xc_section, accuracy, is_triplet, fxc_rho, fxc_tau)
 ... More...
 
subroutine, public qs_fxc::qs_fgxc_gdiff (ks_env, rho0_struct, rho1_struct, xc_section, accuracy, epsrho, is_triplet, fxc_rho, fxc_tau, gxc_rho, gxc_tau)
 ... More...
 
subroutine, public qs_fxc::qs_fgxc_create (ks_env, rho0_struct, rho1_struct, xc_section, accuracy, is_triplet, fxc_rho, fxc_tau, gxc_rho, gxc_tau)
 ... More...
 
subroutine, public qs_fxc::qs_fgxc_release (ks_env, fxc_rho, fxc_tau, gxc_rho, gxc_tau)
 ... More...