NEWTONX interface - writing CP2K output #1794
Merged
Conversation
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
mkrack
reviewed
Dec 10, 2021
src/qs_tddfpt2_restart.F
Outdated
| CALL cp_fm_column_scale(evects(ispin, istate)%matrix, gs_mos(ispin)%phases_occ) | ||
|
|
||
| IF (ounit > 0) THEN | ||
| WRITE (ounit, "(A)") " " |
Member
There was a problem hiding this comment.
What is the point of these blanks?
Contributor
Author
There was a problem hiding this comment.
None, sorry, I will remove them.
Member
There was a problem hiding this comment.
If you just want an empty line before a header use
WRITE (ounit, "(/,A)") "ES EIGENVECTORS SIZE"
Contributor
Author
There was a problem hiding this comment.
I will recommit in a second
Contributor
Author
There was a problem hiding this comment.
I adjusted now, thanks :)
annahehn
force-pushed
the
NEWTONX
branch
2 times, most recently
from
7be901c to
eac11f5
Compare
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Outdated suggestions cannot be applied.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.
This is a small change to write output for the NEWTONX interface.