chrisjsewell / aiida-crystal17 / 751

Builds Branch Commit Type Ran Committer Via Coverage
751 ech3_caclulation Documentation: update crystal17.doss push chrisjsewell travis-ci pending completion   set done
750 ech3_caclulation ``crystal17.doss``; fix parsing of projections push chrisjsewell travis-ci pending completion   set done
749 ech3_caclulation gcube_to_vesta: improve bond computation push chrisjsewell travis-ci pending completion   set done
748 ech3_caclulation gcube_to_vesta: add more options push chrisjsewell travis-ci pending completion   set done
747 ech3_caclulation gcube_to_vesta: supply settings as a dict push chrisjsewell travis-ci pending completion   set done
746 ech3_caclulation gcube_to_vesta: add input validation, write function, and 2D display settings push chrisjsewell travis-ci pending completion   set done
745 ech3_caclulation test fix push chrisjsewell travis-ci pending completion   set done
744 ech3_caclulation Add creation of VESTA file, from cube data file push chrisjsewell travis-ci pending completion   set done
743 ech3_caclulation ``GaussianCube`` add methods for analysing data push chrisjsewell travis-ci pending completion   set done
742 ech3_caclulation ``crystal17.ech3`` store cube files as ``GaussianCube`` data objects push chrisjsewell travis-ci pending completion   set done
741 ech3_caclulation Updated CryPropertiesWorkChain to run multiple properties calculation push chrisjsewell travis-ci pending completion   set done
740 ech3_caclulation PropAbstractCalculation: if wf_input is folder/singlefile, add to local_copy_list push chrisjsewell travis-ci pending completion   set done
739 ech3_caclulation test fix push chrisjsewell travis-ci pending completion   set done
738 ech3_caclulation test fix push chrisjsewell travis-ci pending completion   set done
737 ech3_caclulation Refactor property calculations - Rename ``cry_`` -> ``prop_`` - Renamed ``crystal17.fermi`` -> ``crystal17.newk`` - Subclass calculations from base ``PropAbstractCalculation`` - all calculation take as input; a wf_folder % a parameter dict ... push chrisjsewell travis-ci pending completion   set done