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!
! Copyright (C) 2002 FPMD 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 .
!
! AB INITIO COSTANT PRESSURE MOLECULAR DYNAMICS
! ----------------------------------------------
! Car-Parrinello Parallel Program
! Carlo Cavazzoni - Gerardo Ballabio
! SISSA, Trieste, Italy - 1997-99
! Last modified: Sat Feb 12 11:43:48 MET 2000
! ----------------------------------------------
! BEGIN manual
MODULE time_step
! (describe briefly what this module does...)
! ----------------------------------------------
! routines in this module:
! SUBROUTINE set_time_step(dt)
! ----------------------------------------------
! END manual
! ----------------------------------------------
USE kinds
IMPLICIT NONE
SAVE
PRIVATE
! ... declare module-scope variables
REAL(DP) :: delthal, twodelt, fordt2, dt2, dt2by2, delt
REAL(DP) :: tps ! elapsed simulated time in picoseconds
PUBLIC :: set_time_step, tps, delt, twodelt, dt2, dt2by2
! end of module-scope declarations
! ----------------------------------------------
CONTAINS
! subroutines
! ----------------------------------------------
! ----------------------------------------------
SUBROUTINE set_time_step(dt)
REAL(DP), INTENT(IN) :: dt
delt = dt
dt2 = dt ** 2
fordt2 = 4.0_DP * dt2
delthal = 0.5_DP * delt
twodelt = 2.0_DP * delt
dt2by2 = 0.5_DP * dt2
tps = 0.0_DP
RETURN
END SUBROUTINE set_time_step
! ----------------------------------------------
! ----------------------------------------------
END MODULE time_step
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