8 Pull requests merged by 3 people

• Add option for periodic boundaries when using PACKMOL.

  #1223 merged Mar 19, 2025

• [pre-commit.ci] pre-commit autoupdate

  #1234 merged Mar 17, 2025

• Fix show ports

  #1233 merged Mar 17, 2025

• Add method to Compound that checks for overlapping particles

  #1225 merged Mar 12, 2025

• Remove windows tesitng, add separate WSL test, update readthedocs environment and remove documentation of deprecated modules.

  #1227 merged Mar 11, 2025

• [pre-commit.ci] pre-commit autoupdate

  #1230 merged Mar 11, 2025

• [pre-commit.ci] pre-commit autoupdate

  #1229 merged Mar 5, 2025

• [pre-commit.ci] pre-commit autoupdate

  #1228 merged Feb 25, 2025

7 Issues closed by 3 people

• Fill_box packing: Potential memory bleed issue (high memory usage)

  #1231 closed Mar 17, 2025

• show_ports does not show ports

  #1232 closed Mar 17, 2025

• PyBel based method get_smiles, results in inconsistent outputs

  #1197 closed Mar 12, 2025

• Self-avoiding walk/overlap check

  #281 closed Mar 12, 2025

• lammpsdata box parameters

  #741 closed Mar 11, 2025

• mBuild fill box not able to save to gro file via parmed or mdtraj

  #768 closed Mar 11, 2025

• Windows testing issues

  #1226 closed Mar 11, 2025

7 Unresolved conversations

Sometimes conversations happen on old items that aren’t yet closed. Here is a list of all the Issues and Pull Requests with unresolved conversations.

• mBuild 2.0 Release Discussion

  #1205 commented on Mar 13, 2025 • 0 new comments

• Factor common features in packing functions into a single function

  #490 commented on Mar 14, 2025 • 0 new comments

• Go from Atomistic to UA and from UA to atomistic

  #506 commented on Mar 14, 2025 • 0 new comments

• String validation

  #524 commented on Mar 14, 2025 • 0 new comments

• Adding ports to surfaces of arbitrary shape - Detection of normal direction

  #108 commented on Mar 14, 2025 • 0 new comments

• Backend option in Compound.save()

  #789 commented on Mar 14, 2025 • 0 new comments

• Specify axes when using fix_orientation in packing.py

  #725 commented on Mar 14, 2025 • 0 new comments