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varsh.F
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module varsh
implicit none
CCCCCCCCCCCC the variables for the input program CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
integer nmol ! the total number of molecules
integer natom ! the total number of particles
integer molA ! the number of molecules A
integer npartA ! the number of particles in molecule A
integer molB ! the number of molecules B
integer npartB ! the number of particles in molecule B
integer molC ! the number of molecules C
integer npartC ! the number of particles in molecule C
integer molD ! the number of molecules D
integer npartD ! the number of particles in molecule D
integer numprocs ! the number of CPU
integer l,ll,n,nl,sumnum
integer i,j,k,is,js,ks,keep
real*8 b(3,3) ! the length of box
real*8 binc ! the changes of the length of the box
integer, allocatable :: nat(:) ! the number of atoms in every molecule
integer, allocatable :: itype(:) ! the index of types of particles
integer, allocatable :: nbonds(:) ! the number of bonds of one particle
integer, allocatable :: ibond(:,:) ! the connectivity of bonds
integer, allocatable :: ibond1(:,:) ! the connectivity of bonds for wtring
integer, allocatable :: molApara(:) ! the number of molecule A in every CPU
integer, allocatable :: molBpara(:) ! the number of molecule B in every CPU
integer, allocatable :: molCpara(:) ! the number of molecule C in every CPU
integer, allocatable :: molDpara(:) ! the number of molecule C in every CPU
integer, allocatable :: Ntotalpara(:) ! the number of total molecules in every CPU
real*8, allocatable :: x(:), y(:), z(:)
real*8, allocatable :: vx(:), vy(:), vz(:) ! the positions and velocities of particles
character*5,allocatable:: clab(:) ! the lab of every particles
integer istop ! check the I/O files
integer mode ! select the program
integer vmode ! select the velocity reading
CCCCCCCCCCCCCCCC the variables for the output program CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
integer nconf ! the number of configurations
integer nattotal ! the number of total particles
integer natpara ! the number of particles in every CPU
integer, allocatable:: natmpia(:) ! the number of particles in every CPU
integer intsteps
real*8 rx,ry,rz,vvx,vvy,vvz
real*8 wrdt,dLx,dLy,dLz
real*8 dt
character*5 aa
end module