Increasing pyMBE interoperability (part I)#151

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jorch28 wants to merge 77 commits into

pyMBE-dev:mainfrom

jorch28:CheckThisFeature

Commits on Apr 8, 2026

Add engine factory and unfinished files for the espresso and lammps engines
jsd94
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Add engine factory to init method to instantiate the wanted engine class when the pymbe class is instantiated
jsd94
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Add particle_charge,particle_label,particle_position and particle_fix to ParticleInstance class
jsd94
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Use attributes inst.particle_label, inst.particle_charge, inst.particle_position,inst._particle_fix to _get_instances_df method
jsd94
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Commits on Apr 9, 2026

Add tutorial
jsd94
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Commits on Apr 16, 2026

Commits on Apr 30, 2026

Commits on May 9, 2026

Commits on May 11, 2026

Commits on May 14, 2026

Commits on May 18, 2026

A commit
jsd94
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Commits on Jun 10, 2026

Add box_l argument to _create_hydrogel_chain
jorch28
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Commits on Jun 22, 2026

Commits on Jun 24, 2026

Calculate the resulting quantity of the chain length in reduced units instead of using the magnitude
jorch28
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Commits on Jun 30, 2026

Commits on Jul 2, 2026

Commits on Jul 3, 2026