Ecosyste.ms: Issues

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GitHub / konjkov/molden2qmc issues and pull requests

#15 - website update

Pull Request - State: closed - Opened by edoapra almost 2 years ago

#14 - math.fabs(number) will always return a floating-point number even if …

Pull Request - State: closed - Opened by Konjkov about 2 years ago

#14 - math.fabs(number) will always return a floating-point number even if …

Pull Request - State: closed - Opened by Konjkov about 2 years ago

#13 - Qmcpack

Pull Request - State: closed - Opened by anbenali over 4 years ago

#13 - Qmcpack

Pull Request - State: closed - Opened by anbenali over 4 years ago

#12 - No such file or directory: 'test/N4/ORCA4/UHF/SVP/N4.molden.input'

Issue - State: open - Opened by TApplencourt almost 5 years ago - 1 comment

#11 - contribution to NWChem overview paper

Issue - State: closed - Opened by edoapra almost 5 years ago - 2 comments

#10 - add nalpha & nbeta electrons

Pull Request - State: closed - Opened by Konjkov almost 5 years ago

#9 - Getting number of alpha electrons and Beta electrons in the case of unrestricted calculations

Issue - State: closed - Opened by anbenali almost 5 years ago - 2 comments
Labels: help wanted

#8 - test_molden2qmc: Solve issue with new version of numpy

Pull Request - State: closed - Opened by TApplencourt almost 5 years ago - 1 comment

#7 - merge master to casl

Pull Request - State: closed - Opened by Konjkov over 5 years ago

#6 - add QCHEM multideterminant support

Pull Request - State: closed - Opened by Konjkov over 6 years ago

#5 - Qchem multireference

Pull Request - State: closed - Opened by Konjkov over 6 years ago

#4 - Orca mutireference

Pull Request - State: closed - Opened by Konjkov over 6 years ago

#3 - SP orbitals

Pull Request - State: closed - Opened by Konjkov about 7 years ago

#2 - Feature/command line args

Pull Request - State: closed - Opened by ghost over 7 years ago

#1 - Qchem

Pull Request - State: closed - Opened by Konjkov over 7 years ago