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SystemError in Numba: Uninstalling and Reinstalling as a Solution

Status: Open.

#66 In MaterSim/PyXtal_FF;

· ensemble-learning opened on May 11, 2024

TEST DATA FILES

Status: Open.

#65 In MaterSim/PyXtal_FF;

· 1997sankha opened on Feb 2, 2024

Add the option to allow the use of different atomic weight for SO3

Status: Open.

#62 In MaterSim/PyXtal_FF;

· qzhu2017 opened on Jun 26, 2023

Help in making own database for training

Status: Open.

#61 In MaterSim/PyXtal_FF;

· Gaurav-Arora-MatSci opened on May 3, 2023

Parsing OUTCAR for making training data

Status: Open.

#60 In MaterSim/PyXtal_FF;

· Gaurav-Arora-MatSci opened on May 3, 2023

error for ncpu > 1 in descriptor

Status: Open.

#58 In MaterSim/PyXtal_FF;

· hoba87 opened on Mar 31, 2023

An example to call SNAP routine

Status: Open.

#57 In MaterSim/PyXtal_FF;

· qzhu2017 opened on Nov 22, 2022

Question: How to access the computed descriptor

Status: Open.

#56 In MaterSim/PyXtal_FF;

· HTranUIUC opened on Apr 6, 2022

Add Lammps_run to the calculator

Status: Open.

#51 In MaterSim/PyXtal_FF;

· qzhu2017 opened on Feb 23, 2022

On the error in examples

Status: Open.

#49 In MaterSim/PyXtal_FF;

· okunoyukihiro2 opened on Nov 10, 2021

Add RDF to the descriptor for the purpose of quick test

Status: Open.

#25 In MaterSim/PyXtal_FF;

· qzhu2017 opened on Sep 21, 2020