tx258/lammps-gran-kokkos
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

small tweak

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-08-26 00:35:43 -04:00
parent f13fe138cc
commit 4b707b8684
1 changed files with 5 additions and 5 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
tools/chain.f90
View File

@ -56,12 +56,12 @@ PROGRAM chain
INTEGER, ALLOCATABLE :: ntype(:),nbondtype(:)
INTEGER, ALLOCATABLE :: atomtype(:),molecule(:)
INTEGER, ALLOCATABLE :: imagex(:),imagey(:),imagez(:)
REAL(kind=8), ALLOCATABLE :: x(:),y(:),z(:)
REAL(kind=8), ALLOCATABLE :: bondlength(:),restrict(:)
REAL(KIND=8), ALLOCATABLE :: x(:),y(:),z(:)
REAL(KIND=8), ALLOCATABLE :: bondlength(:),restrict(:)
INTEGER :: i, n, m, nmolecule, natoms, ntypes, nbonds, nbondtypes
INTEGER :: swaptype, iseed, nsets, iset, ichain, imonomer
REAL(kind=8) :: r, rhostar, volume, rsq, xinner, yinner, zinner, xsurf, ysurf, zsurf
REAL(kind=8) :: x0, y0, z0, x1, y1, z1, x2, y2, z2, dx, dy, dz
REAL(KIND=8) :: r, rhostar, volume, rsq, xinner, yinner, zinner, xsurf, ysurf, zsurf
REAL(KIND=8) :: x0, y0, z0, x1, y1, z1, x2, y2, z2, dx, dy, dz
LOGICAL :: again
@ -299,7 +299,7 @@ PROGRAM chain
ENDDO
WRITE (6,*)
WRITE (6,*) 'Atoms'
WRITE (6,*) 'Atoms # molecular'
WRITE (6,*)
DO i = 1,natoms