grad_term_qmmm Abstract Interface

abstract interface
public subroutine grad_term_qmmm(sys, qmh, fakeqm, gmm, gqm)

Arguments

Type IntentOptional Attributes Name
type(ommp_system), intent(inout), target :: sys
type(ommp_qm_helper), intent(inout), target :: qmh
type(ommp_system), intent(inout), target :: fakeqm
real(kind=rp), intent(out) :: gmm(3,sys%top%mm_atoms)
real(kind=rp), intent(out) :: gqm(3,qmh%qm_top%mm_atoms)