set_ecp_basis Interface

interface


Called by

interface~~set_ecp_basis~~CalledByGraph interface~set_ecp_basis set_ecp_basis proc~add_ecpder add_ecpder proc~add_ecpder->interface~set_ecp_basis proc~add_ecpint add_ecpint proc~add_ecpint->interface~set_ecp_basis 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 subroutine set_ecp_basis(integrator, num_ecps, u_coords, u_exps, u_coefs, u_ams, u_ns, u_lengths) bind(c, name="set_ecp_basis")

Arguments

Type IntentOptional Attributes Name
type(c_ptr), value :: integrator
integer(kind=c_int), value :: num_ecps
real(kind=c_double), dimension(*) :: u_coords
real(kind=c_double), dimension(*) :: u_exps
real(kind=c_double), dimension(*) :: u_coefs
integer(kind=c_int), dimension(*) :: u_ams
integer(kind=c_int), dimension(*) :: u_ns
integer(kind=c_int), dimension(*) :: u_lengths