small updates
This commit is contained in:
@ -950,6 +950,14 @@ not recognized, the function returns -1.
|
||||
- number of dihedral types
|
||||
* - nimpropertypes
|
||||
- number of improper types
|
||||
* - nellipsoids
|
||||
- number of atoms that have ellipsoid data
|
||||
* - nlines
|
||||
- number of atoms that have line data (see :doc:`pair style line/lj <pair_line_lj>`)
|
||||
* - ntris
|
||||
- number of atoms that have triangle data (see :doc:`pair style tri/lj <pair_tri_lj>`)
|
||||
* - nbodies
|
||||
- number of atoms that have body data (see :doc:`the Body particle HowTo <Howto_body>`)
|
||||
|
||||
.. _extract_atom_flags:
|
||||
|
||||
@ -1021,6 +1029,10 @@ int lammps_extract_setting(void *handle, const char *keyword)
|
||||
if (strcmp(keyword,"nangletypes") == 0) return lmp->atom->nangletypes;
|
||||
if (strcmp(keyword,"ndihedraltypes") == 0) return lmp->atom->ndihedraltypes;
|
||||
if (strcmp(keyword,"nimpropertypes") == 0) return lmp->atom->nimpropertypes;
|
||||
if (strcmp(keyword,"nellipsoids") == 0) return lmp->atom->nellipsoids;
|
||||
if (strcmp(keyword,"nlines") == 0) return lmp->atom->nlines;
|
||||
if (strcmp(keyword,"ntris") == 0) return lmp->atom->ntris;
|
||||
if (strcmp(keyword,"nbodies") == 0) return lmp->atom->nbodies;
|
||||
|
||||
if (strcmp(keyword,"molecule_flag") == 0) return lmp->atom->molecule_flag;
|
||||
if (strcmp(keyword,"q_flag") == 0) return lmp->atom->q_flag;
|
||||
|
||||
Reference in New Issue
Block a user