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Unhandled error if no params are specified to be optimized

Status: Open.

#116 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Jun 9, 2025

Program crashes if restart=True, initialtraining=False, and the restart is before result/opt_0 is made

Status: Open.

#115 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Jun 6, 2025

Checking force field file names

Status: Open.

#114 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Apr 25, 2025

Implement HF RESP as a way to precompute charges in the mol2

Status: Open.

#95 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Oct 25, 2024

OpenMM test

Status: Open.

#94 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Oct 24, 2024

Using many conformers can cause collisions in the .nc files

Status: Open.

#62 In mtzgroup/ff-optimizer;

· ethan-r-curtis opened on Mar 3, 2023