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QMCPACK
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qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support
http://www.qmcpack.org
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Check SPOSet size against SD/MSD needs
#5077
Closed
ye-luo
closed
3 days ago
ye-luo
commented
3 days ago
Proposed changes
More size checks.
What type(s) of changes does this code introduce?
Bugfix
Does this introduce a breaking change?
No
What systems has this change been tested on?
epyc-server
Checklist
Yes. This PR is up to date with current the current state of 'develop'
ye-luo
commented
3 days ago
Test this please
Proposed changes
More size checks.
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
epyc-server
Checklist