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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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Release notes
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Discussion list QP
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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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kossoski
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correction
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kossoski
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Merge pull request #197 from Ydrnan/qp2_dev
fix error pt2
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fix error pt2
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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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e6d0835657
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fix error pt2 from det already in the wf
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Merge pull request #195 from Ydrnan/bugfix
Fix psi_det_size
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Fix psi_det_size
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Merge pull request #194 from Ydrnan/qp2_dev
cis: add excitation energies in eV
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2022-03-28 23:27:51 +02:00 |
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511a80e062
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add excitation energies in eV
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Merge pull request #192 from Ydrnan/qp2_dev
csf fix segfault
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dsqrt
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e63fa3fdd5
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Fixed tooth_width=0.0
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bda8951042
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remove print
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csf remove do while loops
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22b28fc774
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csf fix segfault
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b70ae8dc58
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Merge pull request #191 from Ydrnan/qp2_dev
output print dipole for n_states >= 1 + read_wf true
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