After you signed in you can subscribe to this topic and get notified about updates. Only updates will be announced here; nothing else :)

New MRCC version

  • jcsontos
  • Topic Author
  • Offline
  • Administrator
  • Administrator
More
9 years 6 months ago #153 by jcsontos
New MRCC version was created by jcsontos
The latest version of MRCC is released on May 28, 2015.
The important new features and changes are as follows.

1) Linear-scaling direct random-phase approximation (dRPA) and second-order Møller-Plesset (MP2) methods.
2) The three-center Coulomb integral code has been parallelized using the OpenMP technology.
3) Implementation of the RPAX2 method.
4) Improved SCF convergence.
5) A couple of bugs have been fixed and the manual has been improved.

It is recommended for every user to upgrade to this version.
The following user(s) said Thank You: emsocchuot

Please Log in or Create an account to join the conversation.

Time to create page: 0.038 seconds
Powered by Kunena Forum

MRCC Login