Merge pull request #272 from badarsh2/LAMMPS-dev

LAMMPS Molecular Dynamics enhancements
OpenChemistry · Jun 12, 2018 · da6ebb9 · da6ebb9
2 parents 9063890 + 5d724a9
commit da6ebb9
Show file tree

Hide file tree

Showing 4 changed files with 479 additions and 0 deletions.
diff --git a/avogadro/io/CMakeLists.txt b/avogadro/io/CMakeLists.txt
@@ -32,6 +32,7 @@ set(HEADERS
   mdlformat.h
   poscarformat.h
   xyzformat.h
+  lammpsformat.h
 )
 
 set(SOURCES
@@ -43,6 +44,7 @@ set(SOURCES
   mdlformat.cpp
   poscarformat.cpp
   xyzformat.cpp
+  lammpsformat.cpp
 )
 
 if(USE_HDF5)

diff --git a/avogadro/io/fileformatmanager.cpp b/avogadro/io/fileformatmanager.cpp
@@ -21,6 +21,7 @@
 #include "cjsonformat.h"
 #include "cmlformat.h"
 #include "gromacsformat.h"
+#include "lammpsformat.h"
 #include "mdlformat.h"
 #include "poscarformat.h"
 #include "xyzformat.h"
@@ -290,6 +291,7 @@ FileFormatManager::FileFormatManager()
   addFormat(new MdlFormat);
   addFormat(new PoscarFormat);
   addFormat(new XyzFormat);
+  addFormat(new LammpsFormat);
 }
 
 FileFormatManager::~FileFormatManager()