Search results

chore(mtapot): add variants on forces

Status: Open.

#296 In TheochemUI/eOn;

· HaoZeke opened on Jan 27, 2026

feat(server): add a mechanism to expose calculators

Status: Open.

#293 In TheochemUI/eOn;

· HaoZeke opened on Jan 27, 2026

feat(metatomic): add symmetrization operations

Status: Open.

#292 In TheochemUI/eOn;

· HaoZeke opened on Jan 27, 2026

feat(petmad): consider random rotations

Status: Open.

#287 In TheochemUI/eOn;

· HaoZeke opened on Jan 20, 2026

maint(neb): refactor and cleanup

Status: Open.

#285 In TheochemUI/eOn;

· HaoZeke opened on Dec 25, 2025

maint(neb): don't read reactant or product when initial path is given

Status: Open.

#278 In TheochemUI/eOn;

· HaoZeke opened on Dec 5, 2025

chore(destructive): remove large blobs

Status: Open.

#275 In TheochemUI/eOn;

· HaoZeke opened on Dec 3, 2025

MAINT: Backport NEB log fixes

Status: Open.

#258 In TheochemUI/eOn;

· HaoZeke opened on Oct 22, 2025

MAINT: Port <code>nwchem</code> sockets to <code>develop</code>

Status: Open.

#246 In TheochemUI/eOn;

· HaoZeke opened on Aug 17, 2025

MAINT: Port <code>ZBLPot</code> to <code>develop</code>

Status: Open.

#243 In TheochemUI/eOn;

· HaoZeke opened on Aug 14, 2025

MAINT: Port MMF-NEB-CI (RO-NEB-CI) to <code>develop</code>

Status: Open.

#242 In TheochemUI/eOn;

· HaoZeke opened on Aug 14, 2025

BLD: Distribute on conda-forge

Status: Open.

#235 In TheochemUI/eOn;

· HaoZeke opened on Jul 31, 2025