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Commits

History for

Commits on Mar 2, 2017

Merge SC-NEVPT codes with contracted MPS perturbers.
shengg
committed

Commits on Dec 21, 2015

merge master branch
zhengbx
committed

Commits on Dec 11, 2015

now UHF two-index algorithm works for serial calculations
zhengbx
committed

Commits on Dec 8, 2015

NPDM is working for one, two and three pdms. Four pdm is still not working. OMP is also working for one and two pdm, but not yet for three pdm. I have not tried running with MPI yet.
Sandeep Sharma
committed

Commits on Oct 1, 2015

The code is now faster because we split the normal block side of the wavefunction. Also the parallelization is now performed over operators and quanta simultaneously.
Sandeep Sharma
committed

Commits on Sep 29, 2015

The 3 index version of Hmultiply is working now.
Sandeep Sharma
committed

Commits on Sep 27, 2015

Three index multiplication is working.
Sandeep Sharma
committed

Commits on Aug 29, 2015

Response theory with mpi is working. Onepdm with mpi is working and the startup is much faster than before
Sandeep Sharma
committed

Commits on Aug 27, 2015

Uses an algorithm that uses much lower memory, no complementary blocks on small blocks
Sandeep Sharma
committed

Commits on Aug 10, 2015

Changed multiplyH of spinblock
Sandeep Sharma
committed

Commits on Aug 9, 2015

First commit. Unfortunately my original local git repository was lost, so I am making a new one.
Sandeep Sharma
committed

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