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nullptr initialization of pointer member variables in class definition

enhancement

Status: Open.

#223 In llnl/mgmol;

· dreamer2368 opened on Apr 19, 2024

MGmol namespace

enhancement

Status: Open.

#213 In llnl/mgmol;

· jeanlucf22 opened on Nov 1, 2023

MGmol as a library

enhancement

Status: Open.

#211 In llnl/mgmol;

· jeanlucf22 opened on Oct 27, 2023

LBFGS restart

bug

Status: Open.

#196 In llnl/mgmol;

· jeanlucf22 opened on Dec 20, 2021

List of atoms in single HDF5 output incorrect

bug

Status: Open.

#188 In llnl/mgmol;

· jeanlucf22 opened on Jun 1, 2021

Offload MGkernelExtend3D() function

enhancement

Status: Open.

#180 In llnl/mgmol;

· jeanlucf22 opened on Mar 13, 2021

Offload MGkernelRestrict3D() function

enhancement

Status: Open.

#179 In llnl/mgmol;

· jeanlucf22 opened on Mar 13, 2021

Chebyshev approximation for DM and Entropy calculation

enhancement

Status: Open.

#19 In llnl/mgmol;

· oseikuffuor1 opened on Aug 12, 2019

Avoid replicated code in evaluation of potential on mesh

enhancement

Status: Open.

#11 In llnl/mgmol;

· jeanlucf22 opened on Jul 22, 2019

Python script for post-processing electronic structure data for visualization

Status: Open.

#10 In llnl/mgmol;

· oseikuffuor1 opened on Jul 22, 2019