Wave function compact visualization #376
Merged
Conversation
This file contains 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
| return sum(1 for (k, v) in self.raw_items() if abs(v) > 1e-6) | ||
| return sum(1 for _ in self.raw_items()) |
There was a problem hiding this comment.
Is this change on purpose? I'm guessing you branched off before #375?
There was a problem hiding this comment.
I did it but I overwrote the code by mistake. Should I make a new one?
There was a problem hiding this comment.
A new commit? Yes, or amend this one to remove the change. (Unless I misunderstood and you mean the change was on purpose?)
There was a problem hiding this comment.
No, it wasn't on purpose. I made a new commit.
Co-authored-by: Oliver Hüttenhofer <[email protected]>
Co-authored-by: Oliver Hüttenhofer <[email protected]>
|
Good to go? |
|
I think so, yes. |
for h2 hcb is a bit slower (overhead due to changes in orbopt function, not dramatic)
|
merging. No idea what the issue is with the psi4 installation in the tests (works locally) |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
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Outdated suggestions cannot be applied.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.
No description provided.