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
std::vector is an exception case so it needs it own h5dataproxy. There isn't a matching h5 data type so I convert it to/from char type. This is used by the energy density estimator to avoid adhoc kludging there.
What type(s) of changes does this code introduce?
Delete the items that do not apply
New feature
Testing changes (e.g. new unit/integration/performance tests)
Does this introduce a breaking change?
No
What systems has this change been tested on?
osx laptop
Checklist
Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.
Yes This PR is up to date with current the current state of 'develop'
Yes Code added or changed in the PR has been clang-formatted
Yes This PR adds tests to cover any new code, or to catch a bug that is being fixed
ye-luo
commented
4 months ago
Proposed changes
std::vector is an exception case so it needs it own h5dataproxy. There isn't a matching h5 data type so I convert it to/from char type. This is used by the energy density estimator to avoid adhoc kludging there.
What type(s) of changes does this code introduce?
Delete the items that do not apply
Does this introduce a breaking change?
What systems has this change been tested on?
osx laptop
Checklist
Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is simply a reminder of what we are going to look for before merging your code.