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Add support for periodic bonds?

Status: Open.

#75In peteboyd/lammps_interface;

· b-rousse opened on Apr 3, 2025

Unable to generate Lammps file when I use --molecule-ff EPM2_CO2

Status: Open.

#74In peteboyd/lammps_interface;

· draptis21 opened on Oct 11, 2024

Jupyter notebook issue

Status: Open.

#73In peteboyd/lammps_interface;

· gianmarco-terrones opened on Sep 26, 2024

Carbon number [#] type cannot be detected!

Status: Open.

#72In peteboyd/lammps_interface;

· draptis21 opened on Sep 23, 2024

Change in the potential function

Status: Open.

#71In peteboyd/lammps_interface;

· Rogalik616 opened on May 12, 2024

0 neighbors found for Zr atoms in UiO-66 structure

Status: Open.

#70In peteboyd/lammps_interface;

· josephGZC opened on Feb 23, 2024

Invalid atom ID in the dihedral section of the datafile

Status: Open.

#69In peteboyd/lammps_interface;

· akash-ball opened on Jan 31, 2024

update readthedocs config

Status: Open.

#67In peteboyd/lammps_interface;

· ltalirz opened on Jun 17, 2023

Sulfur atom typing incomplete for sp3 hybridization

Status: Open.

#63In peteboyd/lammps_interface;

· kbsezginel opened on Apr 11, 2023

New maintainer wanted!

Status: Open.

#61In peteboyd/lammps_interface;

· ltalirz opened on Mar 17, 2023

error running test

Status: Open.

#59In peteboyd/lammps_interface;

· alberto-fraccarollo opened on Dec 28, 2022

undesired bonds when using --replication for frameworks with molecules

Status: Open.

#58In peteboyd/lammps_interface;

· jianmingm opened on Dec 14, 2022