c
c
c     ###################################################
c     ##  COPYRIGHT (C)  1992  by  Jay William Ponder  ##
c     ##              All Rights Reserved              ##
c     ###################################################
c
c     ###############################################################
c     ##                                                           ##
c     ##  module bath  --  thermostat and barostat control values  ##
c     ##                                                           ##
c     ###############################################################
c
c
c     maxnose     maximum length of Nose-Hoover thermostat chain
c
c     voltrial    mean number of steps between Monte Carlo moves
c     kelvin      target value for the system temperature (K)
c     atmsph      target value for the system pressure (atm)
c     tautemp     time constant for Berendsen thermostat (psec)
c     taupres     time constant for Berendsen barostat (psec)
c     compress    isothermal compressibility of medium (atm-1)
c     collide     collision frequency for Andersen thermostat
c     volmove     maximum volume move for Monte Carlo barostat (Ang**3)
c     vbar        velocity of log volume for Nose-Hoover barostat
c     qbar        mass of the volume for Nose-Hoover barostat
c     gbar        force for the volume for Nose-Hoover barostat
c     vnh         velocity of each chained Nose-Hoover thermostat
c     qnh         mass for each chained Nose-Hoover thermostat
c     gnh         force for each chained Nose-Hoover thermostat
c     isothermal  logical flag governing use of temperature control
c     isobaric    logical flag governing use of pressure control
c     prestyp     pressure control type (ISOTROPIC, SEMIISO or ANISO)
c     volscale    choice of scaling method for Monte Carlo barostat
c     thermostat  choice of temperature control method to be used
c     barostat    choice of pressure control method to be used
c
c
      module bath
      implicit none
      integer maxnose
      parameter (maxnose=4)
      integer voltrial
      real*8 kelvin,atmsph
      real*8 tautemp,taupres
      real*8 compress,collide
      real*8 volmove
      real*8 vbar,qbar,gbar
      real*8 vnh(maxnose)
      real*8 qnh(maxnose)
      real*8 gnh(maxnose)
      logical isothermal
      logical isobaric
      character*9 prestyp
      character*9 volscale
      character*11 thermostat
      character*11 barostat
      save
      end