init_integrator Interface

interface


Called by

interface~~init_integrator~~CalledByGraph interface~init_integrator init_integrator proc~add_ecpder add_ecpder proc~add_ecpder->interface~init_integrator proc~add_ecpint add_ecpint proc~add_ecpint->interface~init_integrator proc~grad_1e_ecp grad_1e_ecp proc~grad_1e_ecp->proc~add_ecpder proc~omp_hst omp_hst proc~omp_hst->proc~add_ecpint proc~hf_gradient hf_gradient proc~hf_gradient->proc~grad_1e_ecp proc~int1e int1e proc~int1e->proc~omp_hst proc~tdhf_1e_grad tdhf_1e_grad proc~tdhf_1e_grad->proc~grad_1e_ecp proc~tdhf_gradient tdhf_gradient proc~tdhf_gradient->proc~tdhf_1e_grad proc~tdhf_gradient_c tdhf_gradient_C proc~tdhf_gradient_c->proc~tdhf_gradient

public function init_integrator(num_gaussians, g_coords, g_exps, g_coefs, g_ams, g_lengths) bind(c, name="init_integrator")

Arguments

Type IntentOptional Attributes Name
integer(kind=c_int), value :: num_gaussians
real(kind=c_double), intent(in), dimension(*) :: g_coords
real(kind=c_double), intent(in), dimension(*) :: g_exps
real(kind=c_double), intent(in), dimension(*) :: g_coefs
integer(kind=c_int), dimension(*) :: g_ams
integer(kind=c_int), dimension(*) :: g_lengths

Return Value type(c_ptr)