  !---------------------------------------------------------------------------!
  !                                                                           !
  !     MLatom: a Package for Atomistic Simulations with Machine Learning     !
  !                             MLatom 3.0.0                                  !
  !                                   @                                       !
  !                 Xiamen Atomistic Computing Suite (XACS)                   !
  !                                                                           !
  !                http://mlatom.com/ @ https://XACScloud.com                 !
  !                                                                           !
  !            MIT License (modified to request proper citations)             !
  !                   Copyright (c) 2013- Pavlo O. Dral                       !
  !                           http://dr-dral.com/                             !
  !                                                                           !
  ! Permission is hereby granted, free of charge, to any person obtaining a   !
  ! copy of this software and associated documentation files (the "Software"),!
  ! to deal in the Software without restriction, including without limitation !
  ! the rights to use, copy, modify, merge, publish, distribute, sublicense,  !
  ! and/or sell copies of the Software, and to permit persons to whom the     ! 
  ! Software is furnished to do so, subject to the following conditions:      !
  !                                                                           !
  ! The above copyright notice and this permission notice shall be included   !
  ! in all copies or substantial portions of the Software.                    !
  ! When this Software or its derivatives are used                            ! 
  ! in scientific publications, it shall be cited as:                         !
  !                                                                           !
  ! Pavlo O. Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen,        ! 
  ! Mario Barbatti, Olexandr Isayev, Cheng Wang, Bao-Xin Xue,                 !
  ! Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang,         ! 
  ! Shuang Zhang, Arif Ullah, Yanchi Ou. MLatom 3, to be submitted.           ! 
  ! Check MLatom.com for citation updates.                                    !
  !                                                                           !
  ! Pavlo O. Dral, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr,       !
  ! Jianxing Huang, Mario Barbatti, Top. Curr. Chem. 2021, 379, 27            !
  ! Pavlo O. Dral, J. Comput. Chem. 2019, 40, 2339-2347.                      !
  !                                                                           !
  ! Pavlo O. Dral, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen,        !
  ! Bao-Xin Xue, Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen,        !
  ! Shuang Zhang, Lina Zhang, Arif Ullah, Yanchi Ou,                          !
  ! MLatom: A Package for Atomistic Simulations with Machine Learning,        !
  ! version 3.0.0, Xiamen University, Xiamen, China, 2013-2023.               !
  !                                                                           !
  ! The citations for MLatom's interfaces and features shall be eventually    !
  ! included too. See header.py, ref.json and http://mlatom.com.              !                                                                           !
  !                                                                           !
  ! THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS   !
  ! OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF                !
  ! MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN !
  ! NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM,  !
  ! DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR     !
  ! OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE !
  ! USE OR OTHER DEALINGS IN THE SOFTWARE.                                    !
  !                                                                           !  
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