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chrisjsewell / aiida-crystal17 / 802

Builds Branch Commit Type Ran Committer Via Coverage
802 chemod Allow `Symmetrise3DStructure` to use the pymatgen CIF parser push 30 Jan 2020 09:43AM UTC chrisjsewell travis-ci pending completion   set done
801 chemod Add recording of charge to `parse_bsets_stdin` push 27 Jan 2020 03:25PM UTC chrisjsewell travis-ci pending completion   set done
800 chemod Add input writing for CHEMOD, and parsing of common errors push 27 Jan 2020 02:51PM UTC chrisjsewell travis-ci pending completion   set done
799 chemod Minor structure conversion improvements push 27 Jan 2020 01:31PM UTC chrisjsewell travis-ci pending completion   set done
798 develop Minor structure conversion improvements push 27 Jan 2020 01:25PM UTC chrisjsewell travis-ci pending completion   set done
796 dispersion-correct-input Minor structure conversion improvements push 25 Jan 2020 12:21PM UTC chrisjsewell travis-ci pending completion   set done
795 dispersion-correct-input Add validation & writing of DFTD3 input block push 24 Jan 2020 10:14AM UTC chrisjsewell travis-ci pending completion   set done
794 dispersion-correct-input Merge pull request #32 from chrisjsewell/PPAN-properties-calculation Add PPAN properties calculation push 24 Jan 2020 09:34AM UTC web-flow travis-ci pending completion   set done
793 develop Merge pull request #32 from chrisjsewell/PPAN-properties-calculation Add PPAN properties calculation push 24 Jan 2020 09:29AM UTC web-flow travis-ci pending completion   set done
792 PPAN-properties-calculation Fix `BasisSetData.get_basis_family_names` Pull #32 24 Jan 2020 09:22AM UTC web-flow travis-ci pending completion   set done
791 PPAN-properties-calculation Fix `BasisSetData.get_basis_family_names` push 16 Jan 2020 12:31AM UTC chrisjsewell travis-ci pending completion   set done
790 PPAN-properties-calculation Change rotref matrix write to 8 decimal places push 13 Jan 2020 03:18PM UTC chrisjsewell travis-ci pending completion   set done
789 PPAN-properties-calculation add rotref input for doss push 11 Jan 2020 11:17AM UTC chrisjsewell travis-ci pending completion   set done
787 PPAN-properties-calculation add `CryPpanCalculation` to `CryPropertiesWorkChain` inputs push 10 Jan 2020 07:59AM UTC chrisjsewell travis-ci pending completion   set done
786 PPAN-properties-calculation Add PPAN properties calculation, and related parsers push 10 Jan 2020 07:51AM UTC chrisjsewell travis-ci pending completion   set done
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