feat: Detect molecules node#2459
Draft
RobBuchananCompPhys wants to merge 7 commits into
Draft
Conversation
RobBuchananCompPhys
force-pushed
the
dissolve2/detect-molecules
branch
2 times, most recently
from
9c5237c to
b20982f
Compare
RobBuchananCompPhys
force-pushed
the
dissolve2/detect-molecules
branch
2 times, most recently
from
4a57241 to
62fc811
Compare
trisyoungs
reviewed
Jun 5, 2026
| getIndicesRecursive(atoms, indices, j->index(), exclusions); | ||
| } | ||
| } | ||
| static void getIndicesRecursive(const std::vector<std::unique_ptr<AtomClass>> &atoms, std::vector<int> &indices, int index, |
Member
There was a problem hiding this comment.
Make sure to add a future refactor of Fragment as an issue for Milestone 2.0
RobBuchananCompPhys
force-pushed
the
dissolve2/detect-molecules
branch
2 times, most recently
from
8365ae3 to
d401e48
Compare
RobBuchananCompPhys
force-pushed
the
dissolve2/detect-molecules
branch
from
a1c86e0 to
78d22c9
Compare
RobBuchananCompPhys
changed the base branch from
develop2
to
dissolve2/dynamic-outputs
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
WIP