- 11 Sep, 2020 1 commit
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temok-mx authored
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- 10 Sep, 2020 1 commit
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temok-mx authored
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- 29 Apr, 2020 1 commit
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temok-mx authored
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- 20 Mar, 2020 2 commits
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Markus Scheidgen authored
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Markus Scheidgen authored
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- 19 Mar, 2020 2 commits
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Markus Scheidgen authored
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Markus Scheidgen authored
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- 12 Feb, 2020 1 commit
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temok-mx authored
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- 06 Feb, 2020 1 commit
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temok-mx authored
Gitlab parser-gaussian#3. Updated the dict that translates Gaussian XC-functional names into NOMAD convention (LibXC): B2PLYP, ROHF, CAM-B3LYP.
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- 16 Aug, 2019 1 commit
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Markus Scheidgen authored
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- 10 Feb, 2019 1 commit
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Daniel Speckhard authored
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- 08 Feb, 2019 1 commit
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Daniel Speckhard authored
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- 20 Jul, 2018 1 commit
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Markus Scheidgen authored
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- 13 Jul, 2018 1 commit
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Markus Scheidgen authored
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- 25 Oct, 2017 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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- 12 Jul, 2017 1 commit
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Rosendo Valero Montero authored
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- 31 Mar, 2017 2 commits
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
Gaussian parser metadata "configuration_periodic_dimensions" and "simulation_cell" defined for molecules
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- 21 Feb, 2017 1 commit
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Rosendo Valero Montero authored
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- 08 Oct, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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- 14 Sep, 2016 1 commit
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Rosendo Valero Montero authored
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- 13 Sep, 2016 1 commit
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Rosendo Valero Montero authored
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- 09 Sep, 2016 1 commit
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Rosendo Valero Montero authored
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- 25 Jul, 2016 1 commit
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Rosendo Valero Montero authored
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- 21 Jul, 2016 1 commit
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Rosendo Valero Montero authored
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- 19 Jul, 2016 5 commits
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
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- 08 Jul, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
still failing because a new single_configuration_calculations section should be opened for every single configuration calculation (for example every geoopt step).
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- 05 Jul, 2016 2 commits
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Rosendo Valero Montero authored
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Rosendo Valero Montero authored
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- 23 Jun, 2016 2 commits
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ankit kariryaa authored
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ankit kariryaa authored
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- 22 Jun, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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- 21 Jun, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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- 20 Jun, 2016 1 commit
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Rosendo Valero Montero authored
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- 10 Jun, 2016 1 commit
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Rosendo Valero Montero authored
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- 19 May, 2016 1 commit
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Mohamed, Fawzi Roberto (fawzi) authored
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