to_angstrom Function

public pure elemental function to_angstrom(bohr_value) result(angstrom_value)

Convert coordinate from Bohr to Angstrom

Arguments

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

Return Value real(kind=dp)


Called by

proc~~to_angstrom~~CalledByGraph proc~to_angstrom to_angstrom proc~calculate_fragment_distances calculate_fragment_distances proc~calculate_fragment_distances->proc~to_angstrom proc~calculate_monomer_distance calculate_monomer_distance proc~calculate_monomer_distance->proc~to_angstrom proc~print_fragment_xyz print_fragment_xyz proc~print_fragment_xyz->proc~to_angstrom proc~build_fragment_from_indices build_fragment_from_indices proc~build_fragment_from_indices->proc~calculate_monomer_distance proc~do_fragment_work do_fragment_work proc~do_fragment_work->proc~print_fragment_xyz proc~fragment_should_be_screened fragment_should_be_screened proc~fragment_should_be_screened->proc~calculate_monomer_distance interface~do_fragment_work do_fragment_work interface~do_fragment_work->proc~do_fragment_work proc~apply_distance_screening apply_distance_screening proc~apply_distance_screening->proc~fragment_should_be_screened proc~compute_gmbe compute_gmbe proc~compute_gmbe->proc~build_fragment_from_indices proc~map_fragment_to_system_dipole_derivatives map_fragment_to_system_dipole_derivatives proc~map_fragment_to_system_dipole_derivatives->proc~build_fragment_from_indices proc~map_fragment_to_system_gradient map_fragment_to_system_gradient proc~map_fragment_to_system_gradient->proc~build_fragment_from_indices proc~map_fragment_to_system_hessian map_fragment_to_system_hessian proc~map_fragment_to_system_hessian->proc~build_fragment_from_indices proc~node_worker node_worker proc~node_worker->proc~build_fragment_from_indices proc~node_worker->interface~do_fragment_work proc~serial_fragment_processor serial_fragment_processor proc~serial_fragment_processor->proc~build_fragment_from_indices proc~serial_fragment_processor->interface~do_fragment_work proc~compute_mbe compute_mbe proc~serial_fragment_processor->proc~compute_mbe interface~node_worker node_worker interface~node_worker->proc~node_worker interface~serial_fragment_processor serial_fragment_processor interface~serial_fragment_processor->proc~serial_fragment_processor proc~compute_mbe->proc~map_fragment_to_system_dipole_derivatives proc~compute_mbe->proc~map_fragment_to_system_gradient proc~compute_mbe->proc~map_fragment_to_system_hessian proc~compute_mbe_dipole_derivatives compute_mbe_dipole_derivatives proc~compute_mbe->proc~compute_mbe_dipole_derivatives proc~compute_mbe_gradient compute_mbe_gradient proc~compute_mbe->proc~compute_mbe_gradient proc~compute_mbe_hessian compute_mbe_hessian proc~compute_mbe->proc~compute_mbe_hessian proc~compute_mbe_dipole_derivatives->proc~map_fragment_to_system_dipole_derivatives proc~compute_mbe_gradient->proc~map_fragment_to_system_gradient proc~compute_mbe_hessian->proc~map_fragment_to_system_hessian proc~run_fragmented_calculation run_fragmented_calculation proc~run_fragmented_calculation->proc~apply_distance_screening proc~serial_gmbe_pie_processor serial_gmbe_pie_processor proc~serial_gmbe_pie_processor->interface~do_fragment_work proc~unfragmented_calculation unfragmented_calculation proc~unfragmented_calculation->interface~do_fragment_work interface~unfragmented_calculation unfragmented_calculation interface~unfragmented_calculation->proc~unfragmented_calculation proc~global_coordinator global_coordinator proc~global_coordinator->proc~compute_mbe proc~gmbe_run_distributed gmbe_context_t%gmbe_run_distributed proc~gmbe_run_distributed->interface~node_worker proc~gmbe_run_serial gmbe_context_t%gmbe_run_serial proc~gmbe_run_serial->proc~serial_gmbe_pie_processor proc~mbe_run_distributed mbe_context_t%mbe_run_distributed proc~mbe_run_distributed->interface~node_worker proc~mbe_run_serial mbe_context_t%mbe_run_serial proc~mbe_run_serial->interface~serial_fragment_processor proc~run_calculation run_calculation proc~run_calculation->proc~run_fragmented_calculation

Source Code

   pure elemental function to_angstrom(bohr_value) result(angstrom_value)
      !! Convert coordinate from Bohr to Angstrom
      real(dp), intent(in) :: bohr_value
      real(dp) :: angstrom_value
      angstrom_value = bohr_value*BOHR_TO_ANGSTROM
   end function to_angstrom