diff --git a/src/library.cpp b/src/library.cpp index a94e385148..4022a6ba7b 100644 --- a/src/library.cpp +++ b/src/library.cpp @@ -1340,6 +1340,13 @@ int lammps_extract_global_datatype(void * /*handle*/, const char *name) if (strcmp(name,"q_flag") == 0) return LAMMPS_INT; if (strcmp(name,"units") == 0) return LAMMPS_STRING; + if (strcmp(name,"atom_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"pair_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"bond_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"angle_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"dihedral_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"improper_style") == 0) return LAMMPS_STRING; + if (strcmp(name,"kspace_style") == 0) return LAMMPS_STRING; if (strcmp(name,"boltz") == 0) return LAMMPS_DOUBLE; if (strcmp(name,"hplanck") == 0) return LAMMPS_DOUBLE; if (strcmp(name,"mvv2e") == 0) return LAMMPS_DOUBLE; @@ -1586,6 +1593,34 @@ report the "native" data type. The following tables are provided: - int - 1 - **deprecated**. Use :cpp:func:`lammps_extract_setting` instead. + * - atom_style + - char \* + - 1 + - string with the current atom style. + * - pair_style + - char \* + - 1 + - string with the current pair style. + * - bond_style + - char \* + - 1 + - string with the current bond style. + * - angle_style + - char \* + - 1 + - string with the current angle style. + * - dihedral_style + - char \* + - 1 + - string with the current dihedral style. + * - improper_style + - char \* + - 1 + - string with the current improper style. + * - kspace_style + - char \* + - 1 + - string with the current KSpace style. .. _extract_unit_settings: @@ -1692,6 +1727,13 @@ void *lammps_extract_global(void *handle, const char *name) auto lmp = (LAMMPS *) handle; if (strcmp(name,"units") == 0) return (void *) lmp->update->unit_style; + if (strcmp(name,"atom_style") == 0) return (void *) lmp->atom->atom_style; + if (strcmp(name,"pair_style") == 0) return (void *) lmp->force->pair_style; + if (strcmp(name,"bond_style") == 0) return (void *) lmp->force->bond_style; + if (strcmp(name,"angle_style") == 0) return (void *) lmp->force->angle_style; + if (strcmp(name,"dihedral_style") == 0) return (void *) lmp->force->dihedral_style; + if (strcmp(name,"improper_style") == 0) return (void *) lmp->force->improper_style; + if (strcmp(name,"kspace_style") == 0) return (void *) lmp->force->kspace_style; if (strcmp(name,"dt") == 0) return (void *) &lmp->update->dt; if (strcmp(name,"ntimestep") == 0) return (void *) &lmp->update->ntimestep; // update->atime can be referenced as a pointer