1.6.8

What's Changed

• External Lammps Library by @jan-janssen in #234
• Fix pylammpsmpi lower bound by @jan-janssen in #235
• Extend external LammpsLibrary interface by @jan-janssen in #237
• Tinker pd by @srmnitc in #239
• Scheduler updates by @srmnitc in #240

Full Changelog: 1.6.6...1.6.8

1.6.6

Bug fix release needed for liquid equilibrium calculations

1.6.5

What's Changed

• Make queue options a dict and write nicely by @pmrv in #224
• Report submission failures by @pmrv in #223
• Remove lattice: LQD from docs by @pmrv in #222
• Save pd by @srmnitc in #225
• Merge pd data by @srmnitc in #226
• Merge pd data by @srmnitc in #227
• Allow custom lammps by @srmnitc in #228
• Ensure unique slurm output files by @pmrv in #229
• Drop dict_to_string by @pmrv in #230
• Refactor output_chemical_composition format by @pmrv in #231
• Faster liquid by @srmnitc in #232

Full Changelog: 1.6.1...1.6.5

1.6.1

What's Changed

• Resolve user by @srmnitc in #221

Full Changelog: 1.6.0...1.6.1

1.6.0

What's Changed

• Fix pd by @srmnitc in #220

Full Changelog: 1.5.10...1.6.0

1.5.10

What's Changed

• Add conditional import for trapz based on NumPy version by @pmrv in #217
• fix: melting_temperature crashes with n_iterations > 1 by @keyurrmaniya in #218
• fix: use unique logger name per job to prevent log handler conflicts by @keyurrmaniya in #219

New Contributors

• @keyurrmaniya made their first contribution in #218

Full Changelog: 1.5.8...1.5.10

1.5.6

Important bug fix for 1.5.5

Full Changelog: 1.5.5...1.5.6

1.5.5

What's Changed

• Faster input by @srmnitc in #213
• Change flag defaults by @srmnitc in #214

Full Changelog: 1.5.2...1.5.5

1.5.2

What's Changed

• use correct swap in enrichment or depletion by @srmnitc in #211
• Allow full swapping by @srmnitc in #212

Full Changelog: 1.5.0...1.5.2

1.5.0

What's Changed

• Remove old compint by @srmnitc in #210

Notes

This introduces significant changes to composition scaling. Now only a scalar value is calculated.