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grimme-lab
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enso
energetic sorting of conformer rotamer ensembles
https://xtb-docs.readthedocs.io/en/latest/enso_doc/enso.html
GNU Lesser General Public License v3.0
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ERROR: in the optimization of CONF1/tpss
#18
atilauchoa
closed
1 year ago
0
ANMR issue when encountering more than > 999 conformers
#17
mhrmsn
opened
1 year ago
8
extraction of coupling
#16
jouteurestaque
opened
1 year ago
0
forrtl: severe (174): SIGSEGV, segmentation fault occurred
#15
gabrieliacc
opened
3 years ago
13
ENSO 2.0.2 and slurm
#14
debruinb
closed
3 years ago
18
xtb as driver for parallel ORCA
#13
msh-yi
closed
4 years ago
4
Make installation with pip possible
#12
awvwgk
opened
4 years ago
0
Fix comparison which relies on object ids
#11
awvwgk
closed
4 years ago
0
ENSO can't find ORCA
#10
HenriqueCSJ
opened
4 years ago
1
ridft issue?
#9
PikachuSauvage
closed
4 years ago
3
ENSO version 2.0
#8
fabothch
closed
4 years ago
0
ANMR read from anmr_nucinfo written by crest_2.10
#7
fabothch
closed
4 years ago
0
fix in correct_anmr_enso, fix in restarting part4
#6
fabothch
closed
4 years ago
0
small fixes
#5
fabothch
closed
4 years ago
0
updating enso
#4
fabothch
closed
4 years ago
0
updating enso
#3
fabothch
closed
4 years ago
0
Multiple fixes
#2
fabothch
closed
4 years ago
0
Orca Version with 3 digits
#1
liljay42
closed
4 years ago
2