Code

Cleanup#18

Code

Merged

benrich37 merged 15 commits intomasterbenrich37/pymatgen:masterfrom cleanupbenrich37/pymatgen:cleanupCopy head branch name to clipboardNov 5, 2024

+3,204-3,660

Commits

Commits on Nov 2, 2024

• removing commented out code, renaming "iter_type" to "step_type"

  benrich37

  committed
  ac69082

  Copy full SHA for ac69082

• should be lower-case e

  benrich37

  committed
  cca29ed

  Copy full SHA for cca29ed

• remove completed todo

  benrich37

  committed
  dfe0de2

  Copy full SHA for dfe0de2

• Filling in missing information in docustrings

  benrich37

  committed
  78c06a6

  Copy full SHA for 78c06a6

Commits on Nov 4, 2024

• Adding language to docustrings to provide context to attributes

  benrich37

  committed
  9d53a2f

  Copy full SHA for 9d53a2f

• Completing incomplete refactoring (renaming backup variables to be private) + removing commented out code

  benrich37

  committed
  761e8a4

  Copy full SHA for 761e8a4

• removing commented out code

  benrich37

  committed
  e562bf8

  Copy full SHA for e562bf8

• Moving "get_pseudo_read_section_bounds" utility function to jdftxoutfileslice as its only foreseeable utility is in its initializing a jdftxoutfileslice object

  benrich37

  committed
  726c7a2

  Copy full SHA for 726c7a2

• Moving "is_<logtype>_start_line" utility functions to joutstructure as its only foreseeable utility is in its initializing a joutstructure object. "is_lowdin_start_line" not included due to usage i…

  Show description for 843863b
  benrich37

  committed
  843863b

  Copy full SHA for 843863b

• Removing "data" module as it is no longer used

  benrich37

  committed
  943558f

  Copy full SHA for 943558f

Commits on Nov 5, 2024

• Making changes to stringify/repr behavior for IO module objects to call pprint and to extend repr to incorporate properties for JDFTXOutfileSlice (but not for deeper objects). This behavior is far …

  Show description for 765548b
  benrich37

  committed
  765548b

  Copy full SHA for 765548b

• Moving JDFTXInfile and JDFTXOutfile to inputs and outputs module, respectively

  benrich37

  committed
  fe9aa8a

  Copy full SHA for fe9aa8a

• Removing commented out testing

  benrich37

  committed
  30e8de7

  Copy full SHA for 30e8de7

• Updated module docustring

  benrich37

  committed
  8d9e9c2

  Copy full SHA for 8d9e9c2

• Modified docustrings

  benrich37

  committed
  cf3e3c2

  Copy full SHA for cf3e3c2