diff --git a/tools/msi2lmp/README b/tools/msi2lmp/README index 5a13f88e4b..00447fde5b 100644 --- a/tools/msi2lmp/README +++ b/tools/msi2lmp/README @@ -1,7 +1,15 @@ Stephanie Teich-McGoldrick (Sandai) is the current maintainer of the msi2lmp tool. She can be contacted at steichm at sandia.gov -1 Jul 2013 +12 Jul 2013 Axel Kohlmeyer + +Fixed the bug that caused improper coefficients to be wrong +Cleaned up the handling of box parameters and center the box +by default around the system/molecule. Added a flag to make +this step optional and center the box around the origin instead. +Added a regression test script with examples. + +1 Jul 2013 Axel Kohlmeyer Cleanup and improved port to windows. Removed some more static string limits.