1!--------------------------------------------------------------------------------------------------! 2! DFTB+: general package for performing fast atomistic simulations ! 3! Copyright (C) 2006 - 2019 DFTB+ developers group ! 4! ! 5! See the LICENSE file for terms of usage and distribution. ! 6!--------------------------------------------------------------------------------------------------! 7 8!> Exporting the functionality we use from the library dftd3. 9module dftbp_dftd3_module 10 use dftd3_api 11 implicit none 12 private 13 14 public :: dftd3_input, dftd3_calc 15 public :: dftd3_init, dftd3_set_params, dftd3_set_functional 16 public :: dftd3_dispersion, dftd3_pbc_dispersion 17 public :: get_atomic_number 18 public :: withDftD3 19 20#:if WITH_DFTD3 21 22 23 !> Whether code was built with DFTD3 support 24 logical, parameter :: withDftD3 = .true. 25 26#:else 27 28 29 !> Whether code was built with DFTD3 support 30 logical, parameter :: withDftD3 = .false. 31 32#:endif 33 34end module dftbp_dftd3_module 35