Search results

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 <code>Berendsen</code> to <code>BerendsenThermostat</code>

Status: Open.

#409 In zincware/IPSuite;

· PythonFZ opened on May 20, 2025

refactor <code>ips.base.protocol</code> and <code>ips.abc</code>

Status: Open.

#408 In zincware/IPSuite;

· PythonFZ opened on May 20, 2025

<code>Hookean</code> constraint not working

Status: Open.

#405 In zincware/IPSuite;

· PythonFZ opened on May 16, 2025

rename repo to <code>ipsuite</code>

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