--- trunk/OOPSE/libmdtools/simulation_module.F90 2003/07/01 21:33:45 569 +++ trunk/OOPSE/libmdtools/simulation_module.F90 2003/07/01 22:29:40 570 @@ -31,7 +31,7 @@ module simulation real(kind=dp), save :: rcut6 = 0.0_DP real(kind=dp), save :: rlist2 = 0.0_DP real(kind=dp), public, dimension(3,3), save :: Hmat, HmatInv - logical, save :: boxIsOrthorhombic + logical, public, save :: boxIsOrthorhombic public :: SimulationSetup public :: getNlocal @@ -91,7 +91,6 @@ contains rcut2 = thisSim%rcut * thisSim%rcut rcut6 = rcut2 * rcut2 * rcut2 rlist2 = thisSim%rlist * thisSim%rlist - box = thisSim%box nExcludes_Global = CnGlobalExcludes nExcludes_Local = CnLocalExcludes @@ -183,18 +182,18 @@ contains end subroutine SimulationSetup subroutine setBox(cHmat, cHmatInv, cBoxIsOrthorhombic) - real(kind=dp), dimension(3,3) :: cHmat, cHamtInv + real(kind=dp), dimension(3,3) :: cHmat, cHmatInv integer :: cBoxIsOrthorhombic integer :: smallest, status, i - + Hmat = cHmat HmatInv = cHmatInv - if(cBoxisOrthorhombic .eq. 0 )then + if (cBoxIsOrthorhombic .eq. 0 ) then boxIsOrthorhombic = .false. - else boxIsOrthorhombic = .true. + else + boxIsOrthorhombic = .true. endif - return end subroutine setBox