KIM API V2
Data Types | Modules | Functions/Subroutines | Variables
ex_model_driver_P_LJ.F90 File Reference
#include "kim_model_compute_log_macros.fd"
#include "kim_model_compute_arguments_create_log_macros.fd"
#include "kim_model_compute_arguments_destroy_log_macros.fd"
#include "kim_model_driver_create_log_macros.fd"

Go to the source code of this file.

Modules

module  ex_model_driver_p_lj
 

Functions/Subroutines

subroutine, public ex_model_driver_p_lj::calc_phi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi)
 
subroutine, public ex_model_driver_p_lj::calc_phi_dphi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi, dphi)
 
subroutine, public ex_model_driver_p_lj::calc_phi_dphi_d2phi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi, dphi, d2phi)
 
subroutine, public ex_model_driver_p_lj::compute_energy_forces (model_compute_handle, model_compute_arguments_handle, ierr)
 
subroutine, public ex_model_driver_p_lj::refresh (model_refresh_handle, ierr)
 
subroutine, public ex_model_driver_p_lj::destroy (model_destroy_handle, ierr)
 
subroutine, public ex_model_driver_p_lj::compute_arguments_create (model_compute_handle, model_compute_arguments_create_handle, ierr)
 
subroutine, public ex_model_driver_p_lj::compute_arguments_destroy (model_compute_handle, model_compute_arguments_destroy_handle, ierr)
 
subroutine model_driver_create_routine (model_driver_create_handle, requested_length_unit, requested_energy_unit, requested_charge_unit, requested_temperature_unit, requested_time_unit, ierr)
 

Variables

integer(c_int), parameter, public ex_model_driver_p_lj::speccode = 1
 

Function/Subroutine Documentation

◆ model_driver_create_routine()

subroutine model_driver_create_routine ( type(kim_model_driver_create_handle_type), intent(inout)  model_driver_create_handle,
type(kim_length_unit_type), intent(in), value  requested_length_unit,
type(kim_energy_unit_type), intent(in), value  requested_energy_unit,
type(kim_charge_unit_type), intent(in), value  requested_charge_unit,
type(kim_temperature_unit_type), intent(in), value  requested_temperature_unit,
type(kim_time_unit_type), intent(in), value  requested_time_unit,
integer(c_int), intent(out)  ierr 
)

Definition at line 650 of file ex_model_driver_P_LJ.F90.