Draft: add support for nanoparticle models#148

Open

pm-blanco wants to merge 10 commits into

pyMBE-dev:mainfrom

pm-blanco:db_nanoparticles

Commits on Mar 23, 2026

First draft of nanoparticles in pyMBE

pmblanco
and
Sebastian Pineda
committed
avoid regressions
pmblanco
committed

Commits on Apr 28, 2026

Change surface_charge_density for total_number_of_sites
Sebastian Pineda
committed
Add print_nanoparticle_properties and the corresponding unit test
Sebastian Pineda
committed

Commits on May 24, 2026

Add relax_nanoparticle_overlaps to avoid ion-core overlaps at high salt concentration

Sebastian Pineda
and
claude
committed
Fix pylint W0613: rename unused capture arguments to _args/_kwargs

Sebastian Pineda
and
claude
committed
Fix thermostat check to use langevin.is_active for ESPResSo portability

Sebastian Pineda
and
claude
committed
Replace fraction_primary_sites with number_of_primary_sites_per_patch; rename template file

Sebastian Pineda
and
claude
committed
Move angle_between_patches to define_nanoparticle and document scope

Sebastian Pineda
and
claude
committed
Remove thermostat state test: not portable across ESPResSo versions

Sebastian Pineda
and
claude
committed