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New MRCC version
New MRCC version
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8 years 3 hours ago #153
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.
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