Skip to content

Add Pathak-Wagner Regularizer to ACForce - #4477

Merged
ye-luo merged 19 commits into
QMCPACK:developfrom
rcclay:pw_regularizer
Feb 23, 2023
Merged

Add Pathak-Wagner Regularizer to ACForce#4477
ye-luo merged 19 commits into
QMCPACK:developfrom
rcclay:pw_regularizer

Conversation

@rcclay

@rcclay rcclay commented Feb 22, 2023

Copy link
Copy Markdown
Contributor

Please review the developer documentation
on the wiki of this project that contains help and requirements.

Proposed changes

This adds the Pathak-Wagner regularizer to all ACForce components, thus allowing the user to mitigate the formal infinite variance problems of this estimator. Access to this feature is done by specifying epsilon=[Real > 0] in the ACForce XML section.

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)
  • Documentation changes

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

Intel Xeon, RHEL7, Real and Complex builds.

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
  • Yes. Documentation has been added (if appropriate)

@rcclay rcclay changed the title Pw regularizer Add Pathak-Wagner Regularizer to ACForce Feb 22, 2023
@rcclay
rcclay requested a review from ye-luo February 22, 2023 21:35
Comment thread src/QMCHamiltonians/ACForce.cpp Outdated
Comment thread src/QMCHamiltonians/ACForce.cpp Outdated
Comment thread src/QMCHamiltonians/ACForce.h Outdated
@ye-luo

ye-luo commented Feb 22, 2023

Copy link
Copy Markdown
Contributor

Test this please

@ye-luo
ye-luo enabled auto-merge February 22, 2023 23:00
regvalue = 1.0;
else
{
//There's a discrepancy between AIP Advances 10, 085213 (2020) and arXiv:2002.01434 for polynomial.

Copy link
Copy Markdown
Contributor

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

Interesting

@ye-luo
ye-luo merged commit e1ef196 into QMCPACK:develop Feb 23, 2023
@rcclay
rcclay deleted the pw_regularizer branch February 23, 2023 20:46
@prckent prckent mentioned this pull request Aug 18, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants