kim-api  2.1.1-git+v2.1.0-git-5-g40fce32c.GNU
An Application Programming Interface (API) for the Knowledgebase of Interatomic Models (KIM).
Data Types | Modules | Functions/Subroutines | Variables
ex_model_driver_P_LJ.f90 File Reference

Go to the source code of this file.

Modules

module  ex_model_driver_p_lj
 

Functions/Subroutines

recursive subroutine, public ex_model_driver_p_lj::calc_phi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi)
 
recursive subroutine, public ex_model_driver_p_lj::calc_phi_dphi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi, dphi)
 
recursive subroutine, public ex_model_driver_p_lj::calc_phi_dphi_d2phi (model_epsilon, model_sigma, model_shift, model_cutoff, r, phi, dphi, d2phi)
 
recursive subroutine, public ex_model_driver_p_lj::compute_energy_forces (model_compute_handle, model_compute_arguments_handle, ierr)
 
recursive subroutine, public ex_model_driver_p_lj::refresh (model_refresh_handle, ierr)
 
recursive subroutine, public ex_model_driver_p_lj::write_model (model_write_parameterized_model_handle, ierr)
 
recursive subroutine, public ex_model_driver_p_lj::destroy (model_destroy_handle, ierr)
 
recursive subroutine, public ex_model_driver_p_lj::compute_arguments_create (model_compute_handle, model_compute_arguments_create_handle, ierr)
 
recursive subroutine, public ex_model_driver_p_lj::compute_arguments_destroy (model_compute_handle, model_compute_arguments_destroy_handle, ierr)
 

Variables

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