! ! Copyright (C) 2008 Quantum ESPRESSO group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! ! !---------------------------------------------------------------------------- MODULE save_gw !---------------------------------------------------------------------------- ! ! ... this module contains methods to read and write data saved by the ! GW code to restart smoothly. ! ! USE kinds, ONLY : DP ! IMPLICIT NONE ! SAVE ! PRIVATE ! PUBLIC :: save_gw_input_variables, restore_gw_input_variables, & clean_input_variables ! INTEGER, PRIVATE :: nat_todo_save, nrapp_save INTEGER, ALLOCATABLE, PRIVATE :: list_save(:), atomo_save(:) CHARACTER(LEN=256), PUBLIC :: tmp_dir_save ! ! CONTAINS ! !------------------------------------------------------------------------ SUBROUTINE save_gw_input_variables() !------------------------------------------------------------------------ ! USE ions_base, ONLY : nat USE partial, ONLY : list, atomo, nat_todo, nrapp ! IMPLICIT NONE ! ALLOCATE(list_save(3*nat)) ALLOCATE(atomo_save(nat)) nat_todo_save=nat_todo nrapp_save=nrapp !HL !if(allocated(list_save)) list_save = list !if(allocated(atomo_save)) = atomo RETURN END SUBROUTINE save_gw_input_variables ! SUBROUTINE restore_gw_input_variables( ) !------------------------------------------------------------------------ ! USE io_files, ONLY : tmp_dir USE ions_base, ONLY : nat USE partial, ONLY : list, atomo, nat_todo, nrapp ! IMPLICIT NONE ! nat_todo=nat_todo_save nrapp=nrapp_save list=list_save atomo=atomo_save tmp_dir=tmp_dir_save RETURN END SUBROUTINE restore_gw_input_variables SUBROUTINE clean_input_variables() IMPLICIT NONE !HL causing seg faults.. if(allocated(list_save)) DEALLOCATE(list_save) if(allocated(atomo_save)) DEALLOCATE(atomo_save) RETURN END SUBROUTINE clean_input_variables ! END MODULE save_gw