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
7 years 3 months ago #501 by jcsontos
New MRCC version was created by jcsontos
The latest version of MRCC is released on Feb 4, 2018.
The important new features and changes are as follows.

1) New, very fast, open-shell CCSD(T) implementation.
2) An efficient reduced-cost second-order algebraic diagrammatic construction [ADC(2)] method for excitation energies and transition moments.
3) Improved SCF code and more flexible SCF initial guess.
4) Self-consistent implementation of van der Waals functionals.
5) Dual basis set approximations.
6) A couple of bugs have been fixed and the manual has been improved.

It is recommended for every user to upgrade to this version.

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

Time to create page: 0.044 seconds
Powered by Kunena Forum

MRCC Login