DLPNO-CCSD(T) Primer Part 1: Reorganize DLPNO Class Heirarchy #3192
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Requesting reviews from @loriab @davpoolechem @jturney |
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Thanks for splitting out a "moving code" PR. After the read_options tweaks, lgtm!
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@loriab @davpoolechem This PR is ready for merge! I am going to rebase it with master and this PR should be merged after all checks pass |
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Description
In preparation of the DLPNO-CCSD(T) code, I have changed the class heirarchy of the DLPNO module. Currently, there is only a
DLPNOMP2class. However, I have split that class into aDLPNO -> DLPNOMP2inheritance heirarchy, to allow forDLPNO -> DLPNOCCSD -> DLPNOCCSD_Tin the future, and potentiallyDLPNO -> DLPNOMP2 -> DLPNOMP2_F12Dev notes & details
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