Ecosyste.ms: Issues

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GitHub / qcscine/autocas issues and pull requests

#13 - Container image for autocas use?

Issue - State: open - Opened by leforesb 3 months ago - 1 comment

#12 - Using a localized basis

Issue - State: open - Opened by JuleH21 7 months ago - 4 comments

#11 - consistent_active_orbital_spaces.py can not run correctly

Issue - State: closed - Opened by wangdu817 10 months ago - 8 comments

#10 - Regarding DMRG

Issue - State: open - Opened by Kalpa08 11 months ago - 1 comment

#9 - some questions about the autocas test of benzene

Issue - State: open - Opened by histhinking 11 months ago - 1 comment

#8 - How to fix the index error (IndexError: too many indices for array)

Issue - State: open - Opened by histhinking 12 months ago - 6 comments

#7 - Performance of autocas

Issue - State: open - Opened by LeonardoBarneschi about 1 year ago - 3 comments

#6 - no idea about how to run autocas correctly

Issue - State: open - Opened by histhinking about 1 year ago - 5 comments

#5 - ValueError: max() arg is an empty sequence

Issue - State: open - Opened by maartensandbox over 1 year ago - 3 comments

#5 - ValueError: max() arg is an empty sequence

Issue - State: open - Opened by maartensandbox over 1 year ago - 3 comments

#4 - Problems with installing on M2 MacBook Air with MacOS Ventura

Issue - State: open - Opened by ErnDLar almost 2 years ago - 5 comments

#4 - Problems with installing on M2 MacBook Air with MacOS Ventura

Issue - State: open - Opened by ErnDLar almost 2 years ago - 5 comments

#3 - Add Chronus Quantum interface to AutoCAS

Pull Request - State: open - Opened by adam-grofe almost 2 years ago

#3 - Add Chronus Quantum interface to AutoCAS

Pull Request - State: open - Opened by adam-grofe almost 2 years ago

#2 - ECPs

Issue - State: open - Opened by chburger almost 2 years ago - 1 comment

#2 - ECPs

Issue - State: open - Opened by chburger almost 2 years ago - 1 comment

#1 - environment variables not read

Issue - State: open - Opened by chburger about 2 years ago - 1 comment

#1 - environment variables not read

Issue - State: open - Opened by chburger about 2 years ago - 1 comment