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New MRCC version

  • jcsontos
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7 years 3 months ago #363 by jcsontos
New MRCC version was created by jcsontos
The latest version of MRCC is released on April 12, 2017.
The important new features and changes are as follows.

1) New reduced-cost CC2 and ADC(2) approaches.
2) Interface to the Amber molecular dynamics package, which enables QM/MM calculations.
3) Interface to the Libxc library, which enables the use of hundreds of density functionals.
4) Spin-component scaled dRPA75 (SCS-dRPA75) method.
5) Analytic gradients for double-hybrid density functional methods.
6) Improved three-center two-electron integral integral code.
7) Improved CCSD(T) code.
7+1) A couple of bugs have been fixed and the manual has been improved.

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

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