GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis 111
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common_obj.f90 File Reference

Data Types

module  common_obj_gbl::darray_1d
 1D array of reals More...
type  common_obj_gbl::darray_2d
module  common_obj_gbl::iarray_1d
 1D array of integers More...
type  common_obj_gbl::ecp_obj
module  common_obj_gbl::nucleus_type
interface  common_obj_gbl::resize_array

Modules

module  common_obj_gbl

Functions/Subroutines

subroutine common_obj_gbl::print_orbital_table (energies, num_sym, n_orbs, n_sym, convert_to_ev, print_level)
integer function common_obj_gbl::init_darray_2d (this)
integer function common_obj_gbl::final_darray_2d (this)
subroutine common_obj_gbl::read_ecp_nml (this, lunit)
subroutine common_obj_gbl::write_ecp (this, lunit, posit)
subroutine common_obj_gbl::read_ecp (this, lunit, posit)
subroutine common_obj_gbl::mpi_ecp_bcast (this)
subroutine common_obj_gbl::eval_local_ecp (this, r, local_ecp)
subroutine common_obj_gbl::eval_semi_local_ecp (this, r, semi_local_ecp)
subroutine common_obj_gbl::eval_SO_ecp (this, r, so_ecp)
integer function common_obj_gbl::resize_2d_array_cfp (array, d1, d2)
integer function common_obj_gbl::resize_3d_array_cfp (array, d1, d2, d3)
integer function common_obj_gbl::resize_2d_array_int (array, d1, d2)
integer function common_obj_gbl::resize_3d_array_int (array, d1, d2, d3)
subroutine common_obj_gbl::resize_copy_2d_array (array, d1, d2)