diff options
| author | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-10 15:50:51 (GMT) |
|---|---|---|
| committer | Magnus Lundborg <magnus.lundborg@scilifelab.se> | 2013-01-10 15:50:51 (GMT) |
| commit | ffff6810875ca11520a4d74abc9cf71622718a96 (patch) | |
| tree | 2378d6c3da6fd7d95568450ebfa17fedee3ec3ce /src/tests/md_openmp.f | |
| parent | 811e3f087eafecdf9027672b8894198c807cc31d (diff) | |
Improved comments
Diffstat (limited to 'src/tests/md_openmp.f')
| -rw-r--r-- | src/tests/md_openmp.f | 9 |
1 files changed, 6 insertions, 3 deletions
diff --git a/src/tests/md_openmp.f b/src/tests/md_openmp.f index 994c5c0..e89b93f 100644 --- a/src/tests/md_openmp.f +++ b/src/tests/md_openmp.f @@ -72,7 +72,7 @@ c double precision wtime c -c Cray pointers are not standard fortran, but must be used to allocate +c Cray pointers are not standard fortran 77, but must be used to allocate c memory properly. c pointer (traj_p, traj) @@ -87,7 +87,7 @@ c byte atom c -c The TNG functions expect 8 bit integers +c The TNG functions expect 64 bit integers c integer*8 n_frames_per_frame_set integer*8 frames_saved_cnt @@ -157,6 +157,9 @@ c write ( *, '(a)' ) ' Initializing trajectory storage.' call tng_trajectory_init(traj_p) +c +c N.B. The TNG output file should be modified according to needs +c call tng_output_file_set(traj, "/tmp/tng_md_out_f77.tng") write ( *, '(a)' ) ' Creating molecules in trajectory.' @@ -254,7 +257,7 @@ c call tng_frame_set_new(traj, int(0, 8), n_frames_per_frame_set) c -c Add empty data blocks +c Add empty data blocks. c call tng_particle_data_block_add(traj, TNG_TRAJ_POSITIONS, & "POSITIONS", TNG_DOUBLE_DATA, TNG_TRAJECTORY_BLOCK, |