Issues

• SystemError in Numba: Uninstalling and Reinstalling as a Solution

  MaterSim/PyXtal_FF#66 · Filter by author ensemble-learning opened on May 11, 2024

• TEST DATA FILES

  MaterSim/PyXtal_FF#65 · Filter by author 1997sankha opened on Feb 2, 2024

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

  MaterSim/PyXtal_FF#62 · Filter by author qzhu2017 opened on Jun 26, 2023

• Help in making own database for training

  MaterSim/PyXtal_FF#61 · Filter by author Gaurav-Arora-MatSci opened on May 3, 2023
  3

• Parsing OUTCAR for making training data

  MaterSim/PyXtal_FF#60 · Filter by author Gaurav-Arora-MatSci opened on May 3, 2023

• error for ncpu > 1 in descriptor

  MaterSim/PyXtal_FF#58 · Filter by author hoba87 opened on Mar 31, 2023

• An example to call SNAP routine

  MaterSim/PyXtal_FF#57 · Filter by author qzhu2017 opened on Nov 22, 2022
  10

• Question: How to access the computed descriptor

  MaterSim/PyXtal_FF#56 · Filter by author HTranUIUC opened on Apr 6, 2022

• Add Lammps_run to the calculator

  MaterSim/PyXtal_FF#51 · Filter by author qzhu2017 opened on Feb 23, 2022
  1

• On the error in examples

  MaterSim/PyXtal_FF#49 · Filter by author okunoyukihiro2 opened on Nov 10, 2021
  9

• Add RDF to the descriptor for the purpose of quick test

  MaterSim/PyXtal_FF#25 · Filter by author qzhu2017 opened on Sep 21, 2020