traj_create Subroutine

private subroutine traj_create(this, fn, na, frmcmp)

Creates a trajectory_t object with a new underlying file named fn. If fn already exists, it will be truncated. The file fn is opened for both reading and writing.

Type Bound

trajectory_t

Arguments

Type IntentOptional Attributes Name
class(trajectory_t), intent(out) :: this

trajectory_t instance.
character(len=*), intent(in) :: fn

Name of the underlying trajectory file.
integer, intent(in) :: na

Number of atoms
integer, intent(in), dimension(4) :: frmcmp

Binary flags indicating whether that component is present in a frame. frmcmp(1): coordinates, frmcmp(2): velocities, frmcmp(3): forces, frmcmp(4): charges

Called by

proc~~traj_create~~CalledByGraph proc~traj_create trajectory_t%traj_create none~init~4 trajectory_t%init none~init~4->proc~traj_create proc~run run proc~run->none~init~4 program~main main program~main->proc~run