Issues

• nullptr initialization of pointer member variables in class definition

  enhancement
  llnl/mgmol#223 · Filter by author dreamer2368 opened on Apr 19, 2024

• MGmol namespace

  enhancement
  llnl/mgmol#213 · Filter by author jeanlucf22 opened on Nov 1, 2023

• MGmol as a library

  enhancement
  llnl/mgmol#211 · Filter by author jeanlucf22 opened on Oct 27, 2023
  

• LBFGS restart

  bug
  llnl/mgmol#196 · Filter by author jeanlucf22 opened on Dec 20, 2021

• List of atoms in single HDF5 output incorrect

  bug
  llnl/mgmol#188 · Filter by author jeanlucf22 opened on Jun 1, 2021

• Offload MGkernelExtend3D() function

  enhancement
  llnl/mgmol#180 · Filter by author jeanlucf22 opened on Mar 13, 2021

• Offload MGkernelRestrict3D() function

  enhancement
  llnl/mgmol#179 · Filter by author jeanlucf22 opened on Mar 13, 2021

• Chebyshev approximation for DM and Entropy calculation

  enhancement
  llnl/mgmol#19 · Filter by author oseikuffuor1 opened on Aug 12, 2019
  

• Avoid replicated code in evaluation of potential on mesh

  enhancement
  llnl/mgmol#11 · Filter by author jeanlucf22 opened on Jul 22, 2019
  

• Python script for post-processing electronic structure data for visualization

  llnl/mgmol#10 · Filter by author oseikuffuor1 opened on Jul 22, 2019