GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis  111
Modules | Functions/Subroutines
orbital_routines.f90 File Reference

Modules

module  orbital_routines_gbl
 

Functions/Subroutines

integer function, public orbital_routines_gbl::check_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group)
 Checks that data for orbital_data_obj are internally consistent. More...
 
subroutine, public orbital_routines_gbl::write_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group, norm, lunit, posit, pos_after_rw)
 
subroutine, public orbital_routines_gbl::read_orbital (number_of_functions, number_of_coefficients, coefficients, spin, energy, occup, irr, point_group, norm, lunit, posit, pos_after_rw)