1.4.6

What's Changed

• update input to check element ordering explicitely by @srmnitc in #196
• Pd fixes by @srmnitc in #197
• Fix meam by @srmnitc in #198
• Fix module command by @srmnitc in #199
• remove old handlers before new by @srmnitc in #200

1.4.5

What's Changed

• Fix comp by @srmnitc in #195

1.4.4

What's Changed

• Get energy dissipation by @srmnitc in #185
• Fetch mp by @srmnitc in #191
• Change all np.NaN to np.nan by @srmnitc in #193

1.4.3

What's Changed

• example 7 bug fix and tests/test_ex07 inclusion by @Varun-nair1997 in #173
• bug fix by @srmnitc in #175
• Fix bug solid by @srmnitc in #177

New Contributors

• @Varun-nair1997 made their first contribution in #173

Full Changelog: 1.4.2...1.4.3

1.4.2

What's Changed

• Pull main to add_swap by @srmnitc in #150
• fix import by @srmnitc in #151
• fix np by @srmnitc in #152
• Merge from main by @srmnitc in #154
• update branch by @srmnitc in #161
• Add swap by @srmnitc in #165
• Allow flexible ufm params by @srmnitc in #166
• Bug fix by @srmnitc in #167
• fix ufm params by @srmnitc in #168
• update docs by @srmnitc in #170

Full Changelog: 1.3.13...1.4.2

1.3.13

What's Changed

• Add plotter by @srmnitc in #160
• Update pressure convergence by @srmnitc in #163

Full Changelog: 1.3.11...1.3.13

1.3.11

What's Changed

• Addition of singularity build file and documentation to run calculations using the container. by @SebastianHavens in #144
• Improvements to singularity documentation by @SebastianHavens in #145
• fix free energy by @srmnitc in #148
• Add parse by @srmnitc in #149
• Process fixes by @srmnitc in #153
• Update doc by @srmnitc in #157
• Update cm correction based on https://doi.org/10.1063/5.0044833 by @srmnitc in #159

Full Changelog: 1.3.10...1.3.11

1.3.10

What's Changed

• Fix deprecated scipy.integrate.cumtrapz by @stefanhiemer in #137
• Fix Slurm queuename. by @stefanhiemer in #141

New Contributors

• @stefanhiemer made their first contribution in #137

Full Changelog: 1.3.9...1.3.10

1.3.9

What's Changed

• do not allow melting when lattice is fixed by @srmnitc in #135

Full Changelog: 1.3.8...1.3.9

1.3.8

What's Changed

• Example changes by @srmnitc in #126
• Fix syntax typo by @niklassiemer in #128
• Return phase strings from get_common_tangets by @pmrv in #132

New Contributors

• @niklassiemer made their first contribution in #128

Full Changelog: 1.3.7...1.3.8