ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Merge branch 'master' into package-reorganization-step1

Browse Source 
# Conflicts:
#	doc/src/Packages_details.rst
This commit is contained in:
Axel Kohlmeyer
2021-07-02 13:24:49 -04:00
parent 411d1f1240 bf5934e581
commit 34fa0da60e
22 changed files with 1003 additions and 35 deletions
Download Patch File Download Diff File Expand all files Collapse all files

10
python/lammps/core.py
View File

@ -460,10 +460,16 @@ class lammps(object):
# -------------------------------------------------------------------------
def finalize(self):
"""Shut down the MPI communication through the library interface by calling :cpp:func:`lammps_finalize`.
"""Shut down the MPI communication and Kokkos environment (if active) through the
library interface by calling :cpp:func:`lammps_mpi_finalize` and
:cpp:func:`lammps_kokkos_finalize`.
You cannot create or use any LAMMPS instances after this function is called
unless LAMMPS was compiled without MPI and without Kokkos support.
"""
self.close()
self.lib.lammps_finalize()
self.lib.lammps_kokkos_finalize()
self.lib.lammps_mpi_finalize()
# -------------------------------------------------------------------------