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This project is mirrored from
https://gitlab.com/Molcas/OpenMolcas.git
. Pull mirroring updated
Jul 17, 2024
.
cleanup_832
594c779e
·
Complement with a updated checkfile for 832.
·
Nov 03, 2023
integral_util_updates
1bde82cd
·
Fix debugprint complier errors.
·
Oct 30, 2023
debugprint
24cc6fd6
·
Fix for test 000
·
Oct 28, 2023
citation
71f80c17
·
Update citation
·
Oct 27, 2023
filesToModule
e8174464
·
Merge branch 'filesToModule' of gitlab.com:Molcas/OpenMolcas into filesToModule
·
Oct 25, 2023
srmp2
diverged from upstream
86a3803d
·
(MBP2) SRMP2 for NoSym and No Frozen Orbitals
·
Sep 18, 2023
safari/fciqmc-caspt2-pose
2a5738cf
·
coded up commutators of Fock contraction, verification pending
·
Sep 12, 2023
libxc_update
70147ada
·
Update Libxc to 6.2.2
·
Sep 08, 2023
cosmetic
d003c34a
·
Updated pgi version
·
Sep 08, 2023
cho_mp2_0
ef706320
·
Generate CHFV files on the fly if not present.
·
Aug 18, 2023
spin-orbit
8b7a3b94
·
Remove test of Breit integrals.
·
Aug 15, 2023
kalyan/RAS_input_bug
9ef0d2ee
·
error out when no holes and particles are specifed
·
Aug 09, 2023
safari/spin-correlation-bugfix
f823b841
·
added test
·
Aug 07, 2023
corrOCA
ae777f27
·
Merge remote-tracking branch 'origin/master' into corrOCA
·
Aug 03, 2023
fix_spinmult
88366c12
·
add docs
·
Aug 02, 2023
418-wfa-allocation
fdc997af
·
AT_LISTS in wfa documentation
·
Jul 31, 2023
auger-symm
0d18131b
·
radial int WB
·
Jul 27, 2023
417-wfa-symmetry
ffc277a3
·
Update WFA doc
·
Jul 04, 2023
spin
0d4343d5
·
RASSI: Save spin matrix in HDF5
·
Jul 03, 2023
orbfiles
7c1e4b7a
·
Fix dummy
·
Jun 29, 2023
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