[Openmd-users] OpenMD version 1.1.1

[Dan Gezelter]

OpenMD users,

We are pleased to announce the release of OpenMD version 1.1.1. This version is largely a bugfix release, and is recommended for all users of OpenMD. New things include:

• Fixed calls to getCharge for non-charge atoms (triggered by shifted pot / shifted force computations of self-self interactions without point charges on topologically connected molecules).
• gcc 4.4 compatibility in ProgressBar 	
• Revamped the visitor architecture to allow for easier conversion of internal data structures into xyz files for export and display.
• Added svn revision numbering for banner display.

You can get the released version here:  

http://openmd.net/?page_id=20

(Or if you use a copy you have checked out via svn, you can just do a "svn update" and then recompile.)

Best regards,

 --Dan Gezelter


***********************************************
  J. Daniel Gezelter
  Associate Professor of Chemistry
  Director of Graduate Admissions
  Department of Chemistry and Biochemistry
  251 Nieuwland Science Hall
  University of Notre Dame
  Notre Dame, IN 46556-5670

  phone:  +1 (574) 631-7595
  fax:    +1 (574) 631-6652
  e-mail: gezelter at nd.edu
  web:    http://www.nd.edu/~gezelter
************************************************