diff options
Diffstat (limited to 'src/lib/tng_io.c')
| -rw-r--r-- | src/lib/tng_io.c | 10 |
1 files changed, 5 insertions, 5 deletions
diff --git a/src/lib/tng_io.c b/src/lib/tng_io.c index 62883ca..386da35 100644 --- a/src/lib/tng_io.c +++ b/src/lib/tng_io.c @@ -9726,10 +9726,9 @@ tng_function_status DECLSPECDLLEXPORT tng_implicit_num_particles_set stat = tng_molecule_find(tng_data, "TNG_IMPLICIT_MOL", -1, &mol); if(stat != TNG_SUCCESS) { - stat = tng_util_trajectory_molecule_add(tng_data, - "TNG_IMPLICIT_MOL", - diff, - &mol); + stat = tng_molecule_add(tng_data, + "TNG_IMPLICIT_MOL", + &mol); if(stat != TNG_SUCCESS) { return(stat); @@ -14461,6 +14460,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecules_get return(TNG_SUCCESS); } +/* tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add (tng_trajectory_t tng_data, const char *name, @@ -14481,7 +14481,7 @@ tng_function_status DECLSPECDLLEXPORT tng_util_trajectory_molecule_add return(stat); } - +*/ tng_function_status DECLSPECDLLEXPORT tng_util_molecule_particles_get (tng_trajectory_t tng_data, const tng_molecule_t mol, |