Simple DFT-D3
Source Files
Modules
Procedures
Abstract Interfaces
Derived Types
Program
dftd3_utils
Module
37 statements
Source File
utils.f90
dftd3_utils
Contents
Subroutines
wrap_to_central_cell
Uses
mctc_io_math
mctc_env
Subroutines
public subroutine
wrap_to_central_cell
(xyz, lattice, periodic)
Arguments
Type
Intent
Optional
Attributes
Name
real(kind=wp),
intent(inout)
::
xyz
(:,:)
real(kind=wp),
intent(in)
::
lattice
(:,:)
logical,
intent(in)
::
periodic
(:)