(git:0de0cc2)
xc_libxc.F File Reference

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Modules

module  xc_libxc
 calculates a functional from libxc and its derivatives
 

Functions/Subroutines

logical function, public xc_libxc::libxc_check_existence_in_libxc (libxc_params)
 This function checks whether a functional name belongs to LibXC. More...
 
integer function, public xc_libxc::libxc_get_reference_length (libxc_params, lsd)
 This function returns the maximum length of the reference string for a given LibXC functional. More...
 
subroutine, public xc_libxc::libxc_add_sections (section)
 ... More...
 
subroutine, public xc_libxc::libxc_lda_info (libxc_params, reference, shortform, needs, max_deriv, print_warn)
 info about the functional from libxc More...
 
subroutine, public xc_libxc::libxc_lsd_info (libxc_params, reference, shortform, needs, max_deriv, print_warn)
 info about the functional from libxc More...
 
subroutine, public xc_libxc::libxc_version_info (version)
 info about the LibXC version More...
 
subroutine, public xc_libxc::libxc_lda_eval (rho_set, deriv_set, grad_deriv, libxc_params)
 evaluates the functional from libxc More...
 
subroutine, public xc_libxc::libxc_lsd_eval (rho_set, deriv_set, grad_deriv, libxc_params)
 evaluates the functional from libxc More...