From 60c6adb0aaa9428ef820e11fd481f1229daae6ca Mon Sep 17 00:00:00 2001
From: "Riello, Massimo (mriello)" <massimo.riello@kcl.ac.uk>
Date: Fri, 5 Feb 2016 10:56:50 +0100
Subject: [PATCH] Update README
---
README.md | 10 ++++++++++
1 file changed, 10 insertions(+)
diff --git a/README.md b/README.md
index 7eb35c7..de48b37 100644
--- a/README.md
+++ b/README.md
@@ -16,3 +16,13 @@ The simplest way to have this is to check out nomad-lab-base recursively:
git clone --recursive git@gitlab.mpcdf.mpg.de:nomad-lab/nomad-lab-base.git
then this will be in parsers/lammps.
+
+# Running and Testing the Parser
+
+## Usage
+LAMMPS input/output files can be parsed with:
+
+ python LAMMPSParserControl.py ../../test/examples/input.1_methyl_naphthalene
+
+## Test Files
+Example input/output files of LAMMPS can be found in the directory test/examples.
--
GitLab