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qcscine
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autocas
https://scine.ethz.ch
BSD 3-Clause "New" or "Revised" License
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Container image for autocas use?
#13
leforesb
opened
1 month ago
1
Using a localized basis
#12
JuleH21
opened
5 months ago
4
consistent_active_orbital_spaces.py can not run correctly
#11
wangdu817
closed
4 months ago
8
Regarding DMRG
#10
Kalpa08
opened
9 months ago
1
some questions about the autocas test of benzene
#9
histhinking
opened
9 months ago
1
How to fix the index error (IndexError: too many indices for array)
#8
histhinking
opened
10 months ago
6
Performance of autocas
#7
LeonardoBarneschi
opened
10 months ago
3
no idea about how to run autocas correctly
#6
histhinking
opened
11 months ago
5
ValueError: max() arg is an empty sequence
#5
maartensandbox
opened
1 year ago
3
Problems with installing on M2 MacBook Air with MacOS Ventura
#4
ErnDLar
opened
1 year ago
5
Add Chronus Quantum interface to AutoCAS
#3
adam-grofe
opened
1 year ago
0
ECPs
#2
chburger
opened
1 year ago
1
environment variables not read
#1
chburger
opened
1 year ago
1