add new API to library interface lammps_get_thermo(). include support in python wrapper, too.

2016-07-21 19:43:03 -04:00
parent ae7af38eac
commit 182425df15
4 changed files with 31 additions and 0 deletions
--- a/python/examples/demo.py
+++ b/python/examples/demo.py
@ -39,6 +39,9 @@ print("Energy from equal-style variable =",eng)
 vy = lmp.extract_variable("vy","all",1)
 print("Velocity component from atom-style variable =",vy[1])

+vol = lmp.get_thermo("vol")
+print("Volume from get_thermo = ",vol)
+
 natoms = lmp.get_natoms()
 print("Natoms from get_natoms =",natoms)