util Module


Uses

  • module~~util~~UsesGraph module~util util module~precision precision module~util->module~precision iso_fortran_env iso_fortran_env module~precision->iso_fortran_env

Used by

  • module~~util~~UsedByGraph module~util util proc~fock_jk fock_jk proc~fock_jk->module~util proc~get_states_overlap get_states_overlap proc~get_states_overlap->module~util proc~get_structures_ao_overlap get_structures_ao_overlap proc~get_structures_ao_overlap->module~util proc~guess_hcore guess_hcore proc~guess_hcore->module~util proc~guess_huckel guess_huckel proc~guess_huckel->module~util proc~guess_json guess_json proc~guess_json->module~util proc~hf_gradient hf_gradient proc~hf_gradient->module~util proc~oqp_tdhf_z_vector oqp_tdhf_z_vector proc~oqp_tdhf_z_vector->module~util proc~scf_driver scf_driver proc~scf_driver->module~util proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->module~util proc~tdhf_energy tdhf_energy proc~tdhf_energy->module~util proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->module~util proc~tdhf_mrsf_energy tdhf_mrsf_energy proc~tdhf_mrsf_energy->module~util proc~tdhf_sf_energy tdhf_sf_energy proc~tdhf_sf_energy->module~util

Variables

Type Visibility Attributes Name Initial
character(len=*), public, parameter :: module_name = "util"

Functions

public pure function e_charge_repulsion(xyz, q) result(enuc)

Arguments

Type IntentOptional Attributes Name
real(kind=dp), intent(in) :: xyz(:,:)
real(kind=dp), intent(in) :: q(:)

Return Value real(kind=dp)


Subroutines

public subroutine measure_time(print_total, log_unit)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: print_total
integer, intent(in) :: log_unit