xtb_parameters.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	xtb_parameters
	Read xTB parameters.

Functions/Subroutines
subroutine, public	xtb_parameters::xtb_parameters_init (param, element_symbol, parameter_file_path, parameter_file_name, para_env)
	... More...
subroutine, public	xtb_parameters::xtb_parameters_read (param, element_symbol, xtb_section)
	Read atom parameters for xTB Hamiltonian from input file. More...
subroutine, public	xtb_parameters::xtb_parameters_set (param)
	Read atom parameters for xTB Hamiltonian from input file. More...
subroutine, public	xtb_parameters::init_xtb_basis (param, gto_basis_set, ngauss)
	... More...
real(kind=dp) function, public	xtb_parameters::xtb_set_kab (za, zb, xtb_control)
	... More...