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Test cases for CCS #28

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Schoyen opened this issue Feb 12, 2020 · 1 comment
Open

Test cases for CCS #28

Schoyen opened this issue Feb 12, 2020 · 1 comment

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@Schoyen
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Schoyen commented Feb 12, 2020

The newly implemented CCS-code haven't been properly tested. Test cases should be added to ensure that it is working as expected.
@haakoek
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haakoek commented Feb 12, 2020

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.

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@haakoek @Schoyen