Clean up after renaming back to fix python/move

This commit is contained in:
Richard Berger
2017-12-15 13:20:13 -05:00
parent 4d725c3153
commit 950bfb84a9
6 changed files with 24 additions and 24 deletions

View File

@ -2,7 +2,7 @@ This folder contains several LAMMPS input scripts and a python module
file py_nve.py to demonstrate the use of the fix style python/move
to reimplement NVE using Python.
in.fix_python_nve_melt:
in.fix_python_move_nve_melt:
This is a version of the melt example which replaces the default NVE integrator
with a Python implementation. Fix python/move is used to create an
instance of the py_nve.NVE class which implements the required interface.
@ -10,7 +10,7 @@ It demonstrates how to access LAMMPS data as numpy arrays. This gives direct
access to memory owned by the C++ code, allows easy manipulation through numpy
operations and avoids unnecessary copies.
in.fix_python_nve_melt_opt:
in.fix_python_move_nve_melt_opt:
This version of melt example uses NVE_Opt instead of NVE. While this Python
implementation is still much slower than the native version, it shows that
simple code transformations can lead to speedups.