Test cases for CCS - Githubissues

HyQD / coupled-cluster

Upstream coupled cluster code

MIT License

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Test cases for CCS #28

Open Schoyen opened 4 years ago

Schoyen commented 4 years ago

The newly implemented CCS-code haven't been properly tested. Test cases should be added to ensure that it is working as expected.

haakoek commented 4 years ago

One bruteforce test could be to set t2=0 in the working CCSD code and compare the resulting t1,l1amplitudes, energies and dipole moment both for groundstate and time-dependent calculations.