pyiron_contrib-0.1.4

• BUGFIX: totalcharge must not be present in training_data. (#418)
• Feature/pacemaker2022 (#417)
• BUGFIX: update get_lammps_potential to work with the hdnnp pair_style. (#416)

pyiron_contrib-0.1.3

• First draft of a RuNNer interface based on ASE (#315)
• Dependency updates: #415, #414, #413, #412, #409

pyiron_contrib-0.1.2

pyiron_contrib-0.1.2

• Add Force Plot to TrainingContainer (#411)
• Training storage extend iter (#410)
• Atomicrex inherit potentialfit (#406)
• sorting (#399)
• Extended mishin cu f (#398)
• Eam plot multiple elements (#393)
• stogo_rand mlsl_lds (#389)
• Do not automatically update table_cache (#388)
• Correctly include_dataset by name instead of implicit order (#387)
• interactive update (#386)
• fix (#385)
• Cutoff rs minus r pown (#375)
• Adp potentials (#370)
• Correctly pass identifier in TrainingStorage.include_dataset (#367)
• write seed to xml (#366)
• Change name of unit test workflow (#363)
• Some QoL update for active learning in MLIP (#362)
• Forward StructureStorage.sample to TrainingContainer (#361)
• add unit to angle (#357)
• Add Abstract Mixin for Potential Fitting (#278)
• Dependency updates: #408, #407, #405, #404, #403, #402, #401, #400, #397, #396, #395, #394, #392, #391, #390, #384, #383, #382, #381, #380, #379, #378, #377, #374, #373, #372, #371, #365, #364, #360, #359, #358, #356, #355, #354, #353, #352, #351, #350, #349, #348, #347, #346, #345

pyiron_contrib-0.0.13

• updates to atomicrex
• updates to StructureStorage