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reg-caspt2
7d8437d6
·
Implement sigma-p regularizer
·
Sep 28, 2021
VPI
2129830d
·
Merge branch 'master' into VPI
·
Sep 28, 2021
sompsoo
e5551d16
·
update on soMPSoo interface to OpenMolcas.
·
Oct 21, 2021
GUGACI
dec42aec
·
RHODYN contributors added
·
Oct 30, 2021
x2c_hfc_estat
53b13bb7
·
Fix CI issues
·
Nov 05, 2021
openmolcas-master-fix-desym-sonorb
93b28642
·
BUGfix for writing SO-NATORBs - they now contain a wave function type so that...
·
Nov 08, 2021
get_2RDM
2b72a247
·
write RDM files
·
Nov 16, 2021
Rho
1f75fd8d
·
Remove special diagonal processing.
·
Dec 02, 2021
enable-MPS-driven-MS-MC-PDFT
7054f259
·
fixing formatting issues in doc.
·
Dec 02, 2021
intermediate_RASORB
4d4df6f7
·
print intermediate_RASORB
·
Dec 03, 2021
df_dRho
62333ec4
·
Remove unused code.
·
Jan 03, 2022
898
bdf6b5a2
·
Fix error detected by test 898.
·
Jan 05, 2022
test_pipeline
6512fd73
·
test pipeline
·
Jan 27, 2022
intel13_debug
e2e5f338
·
Target just inter13.
·
Feb 24, 2022
fix_mclr
db3ceb6c
·
Includes to module
·
Feb 28, 2022
fixes
c48a1862
·
additional fixes
·
Apr 04, 2022
kriging_Conical
084a0128
·
Merge branch 'master' into kriging_Conical
·
Apr 13, 2022
GronOR
8ce3ed9d
·
Use u6 as logical file number to print warning message
·
May 05, 2022
integral_export
5511b507
·
Nothing important
·
May 18, 2022
caspt2_64bit-mpi_compatability
587f22ec
·
Too many MPIInt?
·
May 25, 2022
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