Small fixes in dmrgci and icmpspt#252
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sunqm merged 2 commits intopyscf:masterfrom Dec 2, 2018
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- Fix isinstance check, eris_sp['h1eff'] is NPArrayWithTag by lib.numpy_helper while eris_sp['cvcv'] is plain np.array - Truth value of np.array is ambiguous, use .any() here - Allow deprecated pttype = NEVPT2 and check for valid pttype - Handle the case with existing int directory - Fix execute call for NEVPT2
jtkrogel
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Jan 29, 2026
tidy up default jastrow
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Fix read of 3RDM and 4RDM produced by Block 1.5 (StackBlock), as not everybody has 'stackblock' word in the path to BLOCKEXE.
Several small fixes in icmpspt module.