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Added JSON in FCI
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2023-04-24 00:50:07 +02:00 |
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Cleaning useless function
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Fixed need for JSON
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2023-04-21 18:08:54 +02:00 |
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Introduced JSON
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2023-04-21 13:09:34 +02:00 |
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Fix f77zmq
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Raise error
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OMP Critial around format_w_error
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Emmanuel Giner
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Merge pull request #271 from QuantumPackage/dev-stable-tc-scf
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canged h_p to h
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Fix qp_extract_cipsi_data.py
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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
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Fix qp_extract_cipsi_data.py
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2023-04-13 19:36:39 +02:00 |
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Emmanuel Giner
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da4d4a1164
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Merge pull request #270 from QuantumPackage/dev-stable-tc-scf
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Dev stable tc scf
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last update on davidson S2
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Emmanuel Giner
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195479047a
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Merge pull request #268 from QuantumPackage/dev-stable-tc-scf
Dev stable tc scf
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2023-04-12 21:57:40 +02:00 |
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Emmanuel Giner
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fixed bug in S2 for TC davidson
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fixed bug in S2 for TC davidson
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Merge pull request #269 from QuantumPackage/dev-stable
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S2 OK in TC
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working on S2 for TC: davidson with S2 penalty seems to work
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beginning to work on s2 for TC
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Fix call abort
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added print_mos
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Merge branch 'dev-stable-tc-scf' of https://github.com/QuantumPackage/qp2 into dev-stable-tc-scf
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Merge branch 'dev-stable' into dev-stable-tc-scf
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COLLAPSE
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Merge branch 'dev-stable-tc-scf' of github.com:QuantumPackage/qp2 into dev-stable-tc-scf
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6a5f25f549
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Merge pull request #267 from QuantumPackage/dev-stable
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