1! This file is part of xtb.
2!
3! Copyright (C) 2019-2020 Sebastian Ehlert
4!
5! xtb is free software: you can redistribute it and/or modify it under
6! the terms of the GNU Lesser General Public License as published by
7! the Free Software Foundation, either version 3 of the License, or
8! (at your option) any later version.
9!
10! xtb is distributed in the hope that it will be useful,
11! but WITHOUT ANY WARRANTY; without even the implied warranty of
12! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
13! GNU Lesser General Public License for more details.
14!
15! You should have received a copy of the GNU Lesser General Public License
16! along with xtb.  If not, see <https://www.gnu.org/licenses/>.
17
18!> This data types wraps common restart data for calculator, the main purpose
19!  of this data type is to keep the calculator free from data that is changed
20!  in the course of the calculation.
21module xtb_type_restart
22   use xtb_type_wavefunction, only : TWavefunction
23   use xtb_gfnff_neighbourlist, only : TGFFNeighbourList
24   implicit none
25   private
26
27   public :: TRestart
28
29
30   !> Restart wrapper type
31   type :: TRestart
32
33      !> Tight binding wavefunction
34      type(TWavefunction) :: wfn
35
36      !> Force field topology
37      type(TGFFNeighbourList) :: nlist
38
39   end type TRestart
40
41
42contains
43
44
45end module xtb_type_restart
46