Skip to content

Releases: molssi-seamm/loop_step

Improved error handling

16 Jan 12:00
Compare
Choose a tag to compare

Wrote the traceback for any errors caught to item_nnn/stderr.out to aid debugging.

Cleaned up the printing.

21 Dec 23:10
892bc33
Compare
Choose a tag to compare

Fixed missing printing and some small bugs introduced recently.

Catching errors inside loops

13 Dec 02:07
326ce49
Compare
Choose a tag to compare

The version has two major enhancements:

  1. Errors in the body of the loop are caught and can be ignored or handled in different ways at the direction of the user.
  2. When looping over rows in a table, a query can be used to select the rows to operate on.

Updated for Python 3.8 and 3.9.

14 Oct 00:56
Compare
Choose a tag to compare
2021.10.13

Moving up to Python 3.8 and 3.9

Update for internal change in argument parsing.

03 Jun 23:44
Compare
Choose a tag to compare
2021.6.3

Updated for the seamm argument parser moving to seamm_util.

Added to the documentation.

11 Feb 16:57
Compare
Choose a tag to compare

Streamlined the documentation, adding a description for the plug-in.
Also tidied up the description for PyPI, which is used by the new installer, and added keywords to help with searches.

Updated for compatibility with the new system classes.

04 Feb 15:06
afa442c
Compare
Choose a tag to compare
Merge pull request #16 from molssi-seamm/system2

Updated to be compatible with the new system classes.

Internal: moving to GitHub action for CI

04 Dec 22:11
Compare
Choose a tag to compare

No change in functionality, but making sure that everything works using GitHub Action for continuous integration (CI) and deployment (CD)

Moving to new command-line argument handling

02 Nov 16:35
d6310df
Compare
Choose a tag to compare
Merge pull request #14 from molssi-seamm/option-handling

Updating for the new command-line argument handling

Minor bug fix for blocking bug with periodic systems.

01 Oct 20:15
Compare
Choose a tag to compare
2020.10.1

Fixed bug caused by incorrect indentation.