mirror of https://gitlab.com/QEF/q-e.git
42 lines
919 B
Fortran
42 lines
919 B
Fortran
!
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! Copyright (C) 2001 PWSCF group
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! This file is distributed under the terms of the
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! GNU General Public License. See the file `License'
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! in the root directory of the present distribution,
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! or http://www.gnu.org/copyleft/gpl.txt .
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!
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!-----------------------------------------------------------------------
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subroutine ions
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!-----------------------------------------------------------------------
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!
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use pwcom
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implicit none
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!
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call start_clock ('ions')
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conv_ions = .true.
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!
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! recover from a previous run, if appropriate
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!
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if (restart.and.iswitch.ge.0) call restart_in_ions
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if (lforce) call forces
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if (lstres) call stress
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if (iswitch.gt.0) then
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call move_ions
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#ifdef __PARA
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call check (3 * nat, tau)
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#endif
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!
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! save restart information
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!
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call write_config_to_file
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call save_in_ions
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end if
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call stop_clock ('ions')
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return
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end subroutine ions
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