Gaussian: constrained geometry optimization + frequencies#217
Open
berquist wants to merge 1 commit intocclib:masterfrom
Open
Gaussian: constrained geometry optimization + frequencies#217berquist wants to merge 1 commit intocclib:masterfrom
berquist wants to merge 1 commit intocclib:masterfrom
Conversation
From patonlab/GoodVibes#72 Reported-by: Xinglong Zhang <xinglong.zhang@cuhk.edu.hk>
berquist
force-pushed
the
goodvibes-constrained-geo-opt
branch
from
3e4e644 to
a849992
Compare
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
1 participant
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
From patonlab/GoodVibes#72
This currently doesn't parse without a fix.