compute_first_derivs Interface

interface


Called by

interface~~compute_first_derivs~~CalledByGraph interface~compute_first_derivs compute_first_derivs proc~add_ecpder add_ecpder proc~add_ecpder->interface~compute_first_derivs proc~grad_1e_ecp grad_1e_ecp proc~grad_1e_ecp->proc~add_ecpder proc~hf_gradient hf_gradient proc~hf_gradient->proc~grad_1e_ecp 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 compute_first_derivs(integrator) bind(c, name="compute_first_derivs")

Arguments

Type IntentOptional Attributes Name
type(c_ptr), value :: integrator

Return Value type(ecp_result)