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place particles N angstroms apart

Status: Open.

#442 In zincware/IPSuite;

· PythonFZ opened on Nov 12, 2025

add checks to Packmol

Status: Open.

#441 In zincware/IPSuite;

· PythonFZ opened on Oct 6, 2025

Setting an index of ´[-1]´ doesnt seem to work in IndexSelection Node

Status: Open.

Bug

#440 In zincware/IPSuite;

· MrJulEnergy opened on Sep 30, 2025

remove dependency on dagshub data

Status: Open.

#434 In zincware/IPSuite;

· PythonFZ opened on Sep 2, 2025

rename Berendsen to BerendsenThermostat

Status: Open.

#409 In zincware/IPSuite;

· PythonFZ opened on May 20, 2025

refactor ips.base.protocol and ips.abc

Status: Open.

#408 In zincware/IPSuite;

· PythonFZ opened on May 20, 2025

Hookean constraint not working

Status: Open.

#405 In zincware/IPSuite;

· PythonFZ opened on May 16, 2025

rename repo to ipsuite

Status: Open.

#393 In zincware/IPSuite;

· PythonFZ opened on Mar 27, 2025

key errors in thresholdcheck

bugSomething isn't workingSomething isn't working

Status: Open.

#386 In zincware/IPSuite;

· M-R-Schaefer opened on Feb 11, 2025

improve docker container

Status: Open.

#366 In zincware/IPSuite;

· PythonFZ opened on Dec 4, 2024

smiles2gromacs node improvements

Status: Open.

#362 In zincware/IPSuite;

· PythonFZ opened on Dec 3, 2024

Thermostat name clarity

Status: Open.

#357 In zincware/IPSuite;

· M-R-Schaefer opened on Dec 3, 2024