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Merge pull request #44 from matthew-hennefarth/csf_memory
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Fix CSF solver symmetry `max_memory` bug
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MatthewRHermes authored Nov 1, 2023
2 parents f190381 + 179fb9c commit 0c5f1b1
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion my_pyscf/fci/csf_symm.py
Original file line number Diff line number Diff line change
Expand Up @@ -59,7 +59,7 @@ def pspace (self, h1e, eri, norb, nelec, hdiag_det=None, hdiag_csf=None, npsp=20
self.norb, self.nelec = norb, nelec
self.check_transformer_cache ()
return pspace (self, h1e, eri, norb, nelec, self.transformer, hdiag_det=hdiag_det,
hdiag_csf=hdiag_csf, npsp=npsp)
hdiag_csf=hdiag_csf, npsp=npsp, max_memory=self.max_memory)

def kernel(self, h1e, eri, norb, nelec, ci0=None, **kwargs):
''' Over the top of the existing kernel, I just need to set the parameters and cache values related to spin.
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