python: update examples and docs

2024-11-04 09:19:38 -07:00
parent 9da58b3ffc
commit 24a4ff78b6
31 changed files with 1608 additions and 1730 deletions
--- a/python/examples/ipython/mpi4py/melt.py
+++ b/python/examples/ipython/mpi4py/melt.py
@ -0,0 +1,10 @@
+from mpi4py import MPI
+from lammps import lammps
+
+L = lammps()
+L.file('in.melt')
+
+
+if MPI.COMM_WORLD.rank == 0:
+    pe = L.get_thermo("pe")
+    print("Potential Energy:", pe)