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
This PR add the input class for the consolidated structure factor estimator.
Update of manual will be in a later PR.
What type(s) of changes does this code introduce?
Delete the items that do not apply
New feature
Build related changes
Testing changes (e.g. new unit/integration/performance tests)
Does this introduce a breaking change?
No
What systems has this change been tested on?
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
1 week ago
Proposed changes
This PR add the input class for the consolidated structure factor estimator. Update of manual will be in a later PR.
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?
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.