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tc_scf compiles and gives good energy for Ne. Added a test in test_Ne.sh
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OCaml code modernization
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gitignore + removed old cray config file
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2023-02-06 16:20:22 +01:00 |
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Fix compilation with OCaml 4220e2cb9b
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RELEASE_NOTES.org
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Update for ARM: Use OPAMPACK
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Update for bats 1.7
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Clean MOs for TCSCF in qp_reset
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Fix documentation
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Discussion list QP
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Merge branch 'master' of github.com:QuantumPackage/qp2
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Merge pull request #199 from QuantumPackage/dev
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Adjust tests
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Merge pull request #198 from kossoski/dev
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Fixed ref values for tests
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Fixed ref values for tests
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correction
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Added drone CI config
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