pyiron_atomistics 0.4.16

What's Changed

• Bump scikit-learn from 1.4.0 to 1.4.1.post1 by @dependabot in #1329
• Bump phonopy from 2.21.0 to 2.21.2 by @dependabot in #1330
• Bump matplotlib from 3.8.2 to 3.8.3 by @dependabot in #1331
• Update pyiron_base to 0.7.9 by @jan-janssen in #1333

Full Changelog: pyiron_atomistics-0.4.15...pyiron_atomistics-0.4.16

pyiron_atomistics 0.4.15

What's Changed

• Merge main by @jan-janssen in #1320
• Use dot notation by @jan-janssen in #1321
• Merge main by @jan-janssen in #1323
• [minor] Make height available in plot3d by @samwaseda in #1314
• Files file not found by @jan-janssen in #1324
• Merge main by @jan-janssen in #1325
• Deprecate workdir path getter in favour of job.files by @pmrv in #1319
• Add pyxtal wrapper by @pmrv in #1093
• Call collect_output when VASP job is not compressed at restart by @samwaseda in #1315
• Bump base by @liamhuber in #1326

Full Changelog: pyiron_atomistics-0.4.14...pyiron_atomistics-0.4.15

pyiron_atomistics 0.4.14

What's Changed

• Add core.* files to .gitignore by @jan-janssen in #1313
• Bump structuretoolkit from 0.0.18 to 0.0.21 by @dependabot in #1317
• Bump numpy from 1.26.3 to 1.26.4 by @dependabot in #1316

Full Changelog: pyiron_atomistics-0.4.13...pyiron_atomistics-0.4.14

pyiron_atomistics 0.4.13

What's Changed

• Update pyiron_base to 0.7.4 by @jan-janssen in #1312
• corrected misspelling by @biterik in #1305

New Contributors

• @biterik made their first contribution in #1305

Full Changelog: pyiron_atomistics-0.4.12...pyiron_atomistics-0.4.13

pyiron_atomistics 0.4.12

What's Changed

• Bump pylammpsmpi from 0.2.11 to 0.2.12 by @dependabot in #1309
• Ignore eddrmm warning by default by @pmrv in #1303
• Import mp_api only on first usage by @pmrv in #1310
• Import mendeleev only when needed by @jan-janssen in #1308

Full Changelog: pyiron_atomistics-0.4.11...pyiron_atomistics-0.4.12

pyiron_atomistics 0.4.11

What's Changed

• Update pyiron_base to 0.7.3 by @jan-janssen in #1306

Full Changelog: pyiron_atomistics-0.4.10...pyiron_atomistics-0.4.11

pyiron_atomistics 0.4.10

What's Changed

• Lammps: Only try to use restart file when present by @pmrv in #1289
• A workaround to fix reloading potentials with LAMMPS by @jan-janssen in #1304

Full Changelog: pyiron_atomistics-0.4.9...pyiron_atomistics-0.4.10

pyiron_atomistics 0.4.9

What's Changed

• Spx add tests by @skatnagallu in #1250
• Separate input writer from pyiron by @samwaseda in #1270
• Issues from the Austrian-German workshop by @niklassiemer in #1294
• Update scikit-learn to 1.4.0 by @jan-janssen in #1295
• Bump pandas from 2.1.4 to 2.2.0 by @dependabot in #1296
• Merge main by @jan-janssen in #1298
• Bump scipy from 1.11.4 to 1.12.0 by @dependabot in #1297
• [minor] Separate update functions in Quasi Newton by @samwaseda in #1299
• Parser for waves.sxb files from SPHInX by @skatnagallu in #1224
• Bump spglib from 2.2.0 to 2.3.0 by @dependabot in #1300

Full Changelog: pyiron_atomistics-0.4.7...pyiron_atomistics-0.4.9

pyiron_atomistics 0.4.7

What's Changed

• fix coverage by @jan-janssen in #1292
• Update pyironb base to 0.7.0 by @jan-janssen in #1293

Full Changelog: pyiron_atomistics-0.4.6...pyiron_atomistics-0.4.7

pyiron_atomistics 0.4.6

What's Changed

• Fix integration notebooks by @jan-janssen in #1291

Full Changelog: pyiron_atomistics-0.4.5...pyiron_atomistics-0.4.6