Issues

• Energy drift in split_step branch due to XLBO multistep predictor assuming uniform timesteps

  bugenhancementin progress
  lanl/qmd-progress#373 · Filter by author mewall opened on Jun 29, 2026

• Two-level model example generates a STOP

  lanl/qmd-progress#294 · Filter by author finkeljos opened on May 23, 2024

• add topic electronic-structure in About section

  lanl/qmd-progress#292 · Filter by author Beliavsky opened on Apr 18, 2024

• 3d synthetic Hamiltonian for benchmarking

  enhancement
  lanl/qmd-progress#278 · Filter by author jeanlucf22 opened on Oct 19, 2023

• Documentation feedback

  enhancement
  lanl/qmd-progress#267 · Filter by author jeanlucf22 opened on Aug 10, 2023
  

• Setting CMAKE_PREFIX_PATH

  lanl/qmd-progress#250 · Filter by author jeanlucf22 opened on Feb 28, 2023
  3

• Use of 'deprecated' in PROGRESS routines

  lanl/qmd-progress#240 · Filter by author jeanlucf22 opened on Oct 19, 2022

• Avoid set_row() in dmconstruction benchmark

  enhancement
  lanl/qmd-progress#237 · Filter by author jeanlucf22 opened on Aug 10, 2022

• Add gcc-11 CI test

  lanl/qmd-progress#212 · Filter by author nicolasbock opened on Jan 11, 2022

• Does not compile with gcc 11.0.0 (due to compiler error)

  lanl/qmd-progress#206 · Filter by author ghbrown opened on Sep 24, 2021
  7

• Error: 'tperce' at (1) is not a member of the 'timer_status_t' structure

  lanl/qmd-progress#142 · Filter by author jan-janssen opened on Dec 13, 2019
  1

• Add code formatting spec

  lanl/qmd-progress#116 · Filter by author nicolasbock opened on May 18, 2018

• pkgconfig and compiler wrappers

  in progress
  lanl/qmd-progress#113 · Filter by author cnegre opened on Apr 26, 2018
  9

  

• gpmd example is failing with "matrix s has a 0 eigenvalue"

  lanl/qmd-progress#79 · Filter by author nicolasbock opened on Aug 15, 2017

• pdb format parser

  bug
  lanl/qmd-progress#65 · Filter by author cnegre opened on Apr 28, 2017
  

• Refactor reshuffle code

  enhancement
  lanl/qmd-progress#57 · Filter by author nicolasbock opened on Apr 18, 2017
  

• Test with OpenMPI

  enhancement
  lanl/qmd-progress#38 · Filter by author nicolasbock opened on Apr 5, 2017

• fold_to_box

  bug
  lanl/qmd-progress#17 · Filter by author cnegre opened on Mar 20, 2017
  

• LAPACK not found

  lanl/qmd-progress#9 · Filter by author cnegre opened on Mar 18, 2017
  6