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Molecular fragmentation

Status: Open.

#84 In JMorado/ParaMol;

· mmagithub opened on Apr 5, 2025

Parametrization using a precomputed set of DFT data

Status: Open.

#83 In JMorado/ParaMol;

· asoyemi1 opened on Dec 3, 2024

platform selection in parallel mode does not work

Status: Open.

#81 In JMorado/ParaMol;

· CornyC opened on Oct 26, 2022

Torsion scan unit nanometer vs nanometer**2

Status: Open.

#80 In JMorado/ParaMol;

· pbute opened on Oct 15, 2021

parameterization of partial charge of symmetric molecules.

Status: Open.

#65 In JMorado/ParaMol;

· xiki-tempula opened on May 24, 2021