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Added PBC FCIDUMP code #1

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Added PBC FCIDUMP code #1

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15db04c
Modified KCCSD RHF to store all eris.
ajwt Dec 19, 2022
bd30151
Added a PBC FCIDUMP routine in pbcfcidump.
ajwt Dec 19, 2022
80b30c0
Added Tests for PBC FCIDUMP routine.
ajwt Dec 19, 2022
0a0a741
Update tests with new helper paths.
ajwt Dec 19, 2022
48681a8
Fixed dodgy paths.
ajwt Dec 19, 2022
eb1b1ed
suggested changes
verena-neufeld Jan 1, 2023
e4fcb05
Update pbcfcidump.py
ajwt Jan 17, 2023
ba6af97
Removed duplicate code.
ajwt Jan 17, 2023
ee72e21
Merge branch 'review_jan01' into pbcfcidump
ajwt Jan 17, 2023
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552 changes: 552 additions & 0 deletions pyscf/tools/pbcfcidump.py
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429 changes: 429 additions & 0 deletions pyscf/tools/test/pbcfcidump/FCIDUMP_e
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68 changes: 68 additions & 0 deletions pyscf/tools/test/pbcfcidump/FCIDUMP_e_X
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