ex_model_driver_p_lj Module Reference

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

Variables
integer(c_int), parameter, public	speccode = 1

Function/Subroutine Documentation

calc_phi()

recursive subroutine, public ex_model_driver_p_lj::calc_phi	(	real(c_double), intent(in)	model_epsilon,
		real(c_double), intent(in)	model_sigma,
		real(c_double), intent(in)	model_shift,
		real(c_double), intent(in)	model_cutoff,
		real(c_double), intent(in)	r,
		real(c_double), intent(out)	phi
	)

Definition at line 94 of file ex_model_driver_P_LJ.f90.

calc_phi_dphi()

recursive subroutine, public ex_model_driver_p_lj::calc_phi_dphi	(	real(c_double), intent(in)	model_epsilon,
		real(c_double), intent(in)	model_sigma,
		real(c_double), intent(in)	model_shift,
		real(c_double), intent(in)	model_cutoff,
		real(c_double), intent(in)	r,
		real(c_double), intent(out)	phi,
		real(c_double), intent(out)	dphi
	)

Definition at line 130 of file ex_model_driver_P_LJ.f90.

calc_phi_dphi_d2phi()

recursive subroutine, public ex_model_driver_p_lj::calc_phi_dphi_d2phi	(	real(c_double), intent(in)	model_epsilon,
		real(c_double), intent(in)	model_sigma,
		real(c_double), intent(in)	model_shift,
		real(c_double), intent(in)	model_cutoff,
		real(c_double), intent(in)	r,
		real(c_double), intent(out)	phi,
		real(c_double), intent(out)	dphi,
		real(c_double), intent(out)	d2phi
	)

Definition at line 168 of file ex_model_driver_P_LJ.f90.

compute_arguments_create()

recursive subroutine, public ex_model_driver_p_lj::compute_arguments_create	(	type(kim_model_compute_handle_type), intent(in)	model_compute_handle,
		type(kim_model_compute_arguments_create_handle_type), intent(in)	model_compute_arguments_create_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 592 of file ex_model_driver_P_LJ.f90.

compute_arguments_destroy()

recursive subroutine, public ex_model_driver_p_lj::compute_arguments_destroy	(	type(kim_model_compute_handle_type), intent(in)	model_compute_handle,
		type(kim_model_compute_arguments_destroy_handle_type), intent(in)	model_compute_arguments_destroy_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 662 of file ex_model_driver_P_LJ.f90.

compute_energy_forces()

recursive subroutine, public ex_model_driver_p_lj::compute_energy_forces	(	type(kim_model_compute_handle_type), intent(in)	model_compute_handle,
		type(kim_model_compute_arguments_handle_type), intent(in)	model_compute_arguments_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 206 of file ex_model_driver_P_LJ.f90.

destroy()

recursive subroutine, public ex_model_driver_p_lj::destroy	(	type(kim_model_destroy_handle_type), intent(in)	model_destroy_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 565 of file ex_model_driver_P_LJ.f90.

refresh()

recursive subroutine, public ex_model_driver_p_lj::refresh	(	type(kim_model_refresh_handle_type), intent(in)	model_refresh_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 465 of file ex_model_driver_P_LJ.f90.

write_model()

recursive subroutine, public ex_model_driver_p_lj::write_model	(	type(kim_model_write_parameterized_model_handle_type), intent(in)	model_write_parameterized_model_handle,
		integer(c_int), intent(out)	ierr
	)

Definition at line 509 of file ex_model_driver_P_LJ.f90.

Variable Documentation

speccode

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

Definition at line 64 of file ex_model_driver_P_LJ.f90.