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Issues: QMCPACK/qmcpack

Welcome & Getting Started 2025
#5263 opened Jan 2, 2025 by prckent
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Roadmap 2025
#5264 opened Jan 2, 2025 by prckent
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QMCPACK Office Hours Thursday 23 January 2025
#5282 opened Jan 15, 2025 by prckent
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Issues list

Need deterministic unit test for LCAO gaussian basis with k-points enhancement testing
#2012 opened Oct 17, 2019 by prckent
6
Its time to end the XML input antipattern discussion documentation enhancement help wanted input testing
#2007 opened Oct 16, 2019 by PDoakORNL
1 task
@PDoakORNL
2
Evaluation of Finite size effects discussion enhancement
#2000 opened Oct 14, 2019 by zenandrea
@prckent @jtkrogel
8
Big Five Warnings from AFQMC enhancement
#1987 opened Oct 9, 2019 by PDoakORNL
@mmorale3
9
Storing timers in classes enhancement
#1822 opened Aug 22, 2019 by markdewing
4
Don't Set unintialized pointers to 0 or NULL set to nullptr enhancement
#1811 opened Aug 19, 2019 by PDoakORNL
2 tasks
1
Python unit testing enhancement
#1660 opened Jun 24, 2019 by PDoakORNL
5
Evaluate performance of cusp correction enhancement
#1626 opened Jun 3, 2019 by prckent
Need smart pointers. Using LCAOrbitalSetWithCorrection as a starting example enhancement
#1624 opened Jun 3, 2019 by ye-luo
7
1RDM needs to support spin dependent bases ECP enhancement
#1619 opened May 30, 2019 by jtkrogel
@jtkrogel
Requests for docker/singularity image for QMCPACK enhancement question
#1608 opened May 22, 2019 by prckent
2
Add force to CoulombPotential.cpp enhancement force
#1565 opened Apr 25, 2019 by rcclay
@rcclay
2
Outdated links in NEXUS manual enhancement nexus
#1523 opened Mar 29, 2019 by prckent
@jtkrogel
DMC should abort when walker population diverges bug enhancement
#1519 opened Mar 29, 2019 by jtkrogel
20
VMC sets walker count to a multiple of the number of threads without warning discussion enhancement
#1464 opened Mar 20, 2019 by prckent
7
Add reblocking to qmca enhancement
#1446 opened Mar 14, 2019 by jtkrogel
2
Long Range Handlers Need Refactoring enhancement
#1412 opened Mar 2, 2019 by rcclay
@rcclay
2
Magic numbers used in grids enhancement
#1400 opened Feb 22, 2019 by ye-luo
1
Cusp correction should be independent of basis set enhancement
#1391 opened Feb 18, 2019 by prckent
Define a better scope for free functions in QMCWaveFunctions/BsplineFactory/contraction_helper.hpp enhancement
#1375 opened Feb 11, 2019 by ye-luo
@ye-luo
Slater matrices should be recomputed by default (blocks_between_recompute=1) enhancement
#1368 opened Feb 7, 2019 by prckent
8
Ionic derivatives of determinants needs enabling and validation enhancement
#1363 opened Feb 6, 2019 by rcclay
2
Machine-readable output file discussion enhancement output_cleanup Clean up output text
#1320 opened Jan 17, 2019 by markdewing
4
Three-body jastrow should require all species to be specified enhancement input
#1247 opened Dec 13, 2018 by prckent
@jtkrogel
Complete MPI wrapper transition in real space QMC enhancement mpi
#1236 opened Dec 10, 2018 by prckent
@markdewing
4
ProTip! Find all open issues with in progress development work with linked:pr.