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gitignore + removed old cray config file
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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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Fixing directories without NEED
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Fix documentation
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Fix compilation with gfortran
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Fix normalization in qp_edit
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Fixing tests
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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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3762409767
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Fixed ref values for tests
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Fixed ref values for tests
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Merge pull request #197 from Ydrnan/qp2_dev
fix error pt2
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52c460367d
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fix error pt2
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2022-04-11 13:55:00 +02:00 |
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c102795499
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Merge pull request #196 from Ydrnan/qp2_dev
fix error pt2 from det already in the wf
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2022-04-11 10:03:19 +02:00 |
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e6d0835657
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fix error pt2 from det already in the wf
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2022-04-08 17:21:03 +02:00 |
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bd74e84bb1
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Merge pull request #195 from Ydrnan/bugfix
Fix psi_det_size
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2022-04-05 16:28:34 +02:00 |
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e3e4036921
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Fix psi_det_size
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2022-04-05 16:15:51 +02:00 |
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5d7da0567a
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Merge pull request #194 from Ydrnan/qp2_dev
cis: add excitation energies in eV
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