MCPopulation now gives walkers useful walker and parent ids

PDoakORNL commented 1 week ago

Proposed changes

segment of #5010 Walker

Fix bug with Walker constructor that ignored walker_id, parent_id arguments.
Add useful documentation to Walker.h

MCPopulation

Refactor into MCPopulation the fission of high multiplicity walkers into 2 or more walkers.
Generate walker_ids for walkers for each trajectory they start. (i.e. a life)
Assign parent id of new walkers in useful way.
Expand in code documentation.

What type(s) of changes does this code introduce?

Bugfix
New feature
Refactoring (no functional changes, no api changes)
Testing changes (e.g. new unit/integration/performance tests)
Documentation or build script changes

There is should be no user observable change except due to #5019 where walker_id's will be different but still undependable.

Does this introduce a breaking change?

No

What systems has this change been tested on?

OSX laptop linux x86 vm

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)

ye-luo commented 1 week ago

Please address the remaining minor issues and this PR will be ready to go.

ye-luo commented 1 week ago

Test this please

PDoakORNL commented 1 week ago

I have no ideas on the osx CI failure and can't reproduce it, I can't build with gcc-12 at all on my mac, there are problems just compiling with GCC-12 and the osx headers for me. Homebrew is onto gcc-14 at this point. gcc-14 has some sort of issue with catch. current llvm is fine.

@jptowns already reported this bus error but resolved it by going to gcc-14 but with M1/2 mac and not sure the OSX rev. But I have compile issues with that gcc in osx 14.5 on my x86 mac...

QMCPACK / qmcpack