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updates from master #996

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merged 18 commits into from
Aug 14, 2024

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@edoapra edoapra commented Aug 14, 2024

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edoapra and others added 18 commits August 13, 2024 15:46
spin-unrestricted SCF calculations (PM, IBO) and separate occ/vir
localization (PM)
and modified where and from where lmotrans files are stored.
and fixed inconsistency in prp.F re. dipole moment when
localization is requested.
…. Routine

ibo_localization was called from localization_driver with two
additional arguments, now removed, that were not used in the routine.
Calls to pm_localization had the same two unused arguments removed
for consistency. QA test output localize-ibo-aa was updated so the test
doesn't fail.
@nwchemgit nwchemgit merged commit 55fb31c into nwchemgit:hotfix/release-7-2-0 Aug 14, 2024
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4 participants