git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8636 f3b2605a-c512-4ea7-a41b-209d697bcdaa

examples/COUPLE/fortran2/simple.f90

@@ -0,0 +1,44 @@
+program simple
+
+   use LAMMPS
+   implicit none
+
+   type (lammps_instance) :: lmp
+   double precision :: compute, fix, fix2
+   double precision, dimension(:), allocatable :: compute_v, mass, r
+   double precision, dimension(:,:), allocatable :: x
+   real, dimension(:,:), allocatable :: x_r
+
+   call lammps_open_no_mpi ('',lmp)
+   call lammps_file (lmp, 'in.simple')
+   call lammps_command (lmp, 'run 500')
+
+   call lammps_extract_fix (fix, lmp, '2', 0, 1, 1, 1)
+   print *, 'Fix is ', fix
+
+   call lammps_extract_fix (fix2, lmp, '4', 0, 2, 1, 1)
+   print *, 'Fix 2 is ', fix2
+
+   call lammps_extract_compute (compute, lmp, 'thermo_temp', 0, 0)
+   print *, 'Compute is ', compute
+
+   call lammps_extract_compute (compute_v, lmp, 'thermo_temp', 0, 1)
+   print *, 'Vector is ', compute_v
+
+   call lammps_extract_atom (mass, lmp, 'mass')
+   print *, 'Mass is ', mass
+
+   call lammps_extract_atom (x, lmp, 'x')
+   if ( .not. allocated (x) ) print *, 'x is not allocated'
+   print *, 'x is ', x(1,:)
+
+   call lammps_extract_atom (x_r, lmp, 'x')
+   if ( .not. allocated (x_r) ) print *, 'x is not allocated'
+   print *, 'x_r is ', x_r(1,:)
+
+   call lammps_get_coords (lmp, r)
+   print *, 'r is ', r(1:3)
+
+   call lammps_close (lmp)
+
+end program simple