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3-update-readme-with-installation-instructions-2
b4d5c3a6
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Merge branch '1-modifications-of-make-clean' into 'master'
·
Feb 19, 2021
atomic_displacements
9a093891
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print atomic CFPs
·
Mar 23, 2021
new_strength_plot
9b4b4505
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Latest changes to get JACS plots implemented
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Mar 24, 2021
locvib_Bkq
73d6e60a
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implement CG update
·
Apr 22, 2021
16-bug-in-pt_fit-cf-hamiltonian
83e0444d
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refactor: update calls to gaussian suite
·
Mar 28, 2022
!19
22-molcas_cfps-dat-not-included-in-submit_condor-txt
95ae4b95
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fix: fix error with non kramers ions
·
May 03, 2022
24-updating-raman-expressions-2
84360ffd
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Merge branch '23-detailed-balance-check-issue' into 'master'
·
Jul 28, 2022
26-improved-precision-definition
009cb7f3
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Merge branch '25-adding-new-lineshape-functions' into 'master'
·
Aug 03, 2022
28-modularisation
e1f022ca
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build: move global and populations to tau specific directory
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Aug 03, 2022
30-reformat-output-of-rates-and-detailed-balance
62283289
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Merge branch '29-re-add-lunghi-lineshape-expression' into 'master'
·
Aug 04, 2022
31-improve-raman-performance
9a207423
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refactor: precalculate k-phonon grid, dos and occ terms
·
Aug 04, 2022
!35
41-4th-order-single-phonon-rates
d6c7df4b
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wip: working on compilation
·
Jun 08, 2023
!45
43-detailed-balance-fix
c7845811
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fix: detailed balance evaluation fixed + updated docs for install on CSF3 with hdf5
·
Sep 29, 2023
!47