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

Modules

module  symmetry_gbl
 

Functions/Subroutines

subroutine symmetry_gbl::write_geometry_obj (this, lunit, posit, pos_after_write)
 
integer function symmetry_gbl::init_symmetry_obj (this, symmetry_data)
 
integer function symmetry_gbl::check_symmetry_obj (this)
 
subroutine symmetry_gbl::apply_sym_op (r, sym_op)
 This routine applies a symmetry operation given by the string sym_op on the vector r. More...
 
integer function, public symmetry_gbl::determine_pg (no_sym_op, sym_op, print_to_stdout)
 Find point group by symmetry operations. More...
 
integer function symmetry_gbl::return_no_irrep (this, pg)
 
subroutine symmetry_gbl::get_geometry_obj (this, geometry)
 
integer function symmetry_gbl::match_irr (chars, char_tab)