HyQD / coupled-cluster

Upstream coupled cluster code
MIT License
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Add restricted omp2 #72

Closed haakoek closed 3 years ago

haakoek commented 3 years ago

This pull request adds the restricted omp2 (ROMP2) method. A test for the groundstate solver is added which uses boron-hydride as the test system (the same as for the general omp2 (GOMP2) method).

Time-dependent ROMP2 is added as well. I have checked that it produces the same result as TDGOMP2, however, since proper tests for TDGOMP2 is not set up yet I have not added this as a test.