grad_t Derived Type

  1. mbd_gradients.f90
  2. mbd_gradients
  3. grad_t

type, public :: grad_t

Derivatives with respect to various quantities


Contents

Variables


Components

TypeVisibility AttributesNameInitial
real(kind=dp), public, allocatable:: dcoords(:,:)
real(kind=dp), public, allocatable:: dlattice(:,:)
real(kind=dp), public, allocatable:: dalpha(:)
real(kind=dp), public, allocatable:: dalpha_dyn(:,:)
real(kind=dp), public, allocatable:: dC6(:)
real(kind=dp), public, allocatable:: dq(:)
real(kind=dp), public, allocatable:: dr_vdw(:)
real(kind=dp), public, allocatable:: domega(:)
real(kind=dp), public, allocatable:: dV(:)
real(kind=dp), public, allocatable:: dV_free(:)
real(kind=dp), public, allocatable:: dX_free(:)