Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
P
Plumed AlphaFold
Manage
Activity
Members
Labels
Plan
Issues
Issue boards
Milestones
Requirements
Code
Merge requests
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Locked files
Deploy
Releases
Package registry
Model registry
Operate
Terraform modules
Monitor
Incidents
Service Desk
Analyze
Value stream analytics
Contributor analytics
Repository analytics
Code review analytics
Issue analytics
Insights
Model experiments
Help
Help
Support
GitLab documentation
Compare GitLab plans
Community forum
Contribute to GitLab
Provide feedback
Keyboard shortcuts
?
Snippets
Groups
Projects
Show more breadcrumbs
Martin Kurečka
Plumed AlphaFold
Commits
ba4681b6
There was an error fetching the commit references. Please try again later.
Commit
ba4681b6
authored
7 years ago
by
Giovanni Bussi
Browse files
Options
Downloads
Plain Diff
Merge branch 'v2.3'
parents
ea63721b
d2029ad4
No related branches found
No related tags found
No related merge requests found
Changes
2
Hide whitespace changes
Inline
Side-by-side
Showing
2 changed files
CHANGES/v2.3.txt
+1
-1
1 addition, 1 deletion
CHANGES/v2.3.txt
src/analysis/PCA.cpp
+1
-1
1 addition, 1 deletion
src/analysis/PCA.cpp
with
2 additions
and
2 deletions
CHANGES/v2.3.txt
+
1
−
1
View file @
ba4681b6
...
...
@@ -155,7 +155,7 @@ See branch \branch{v2.3} on git repository.
- Fixed bug in if condition in \ref PCAVARS so that you can run with only one eigenvector defined in input
- Fixed bug with timers in \ref sum_hills \issue{194}.
- Fixed bug when using \ref MOVINGRESTRAINT with periodic variables such as \ref TORSION \issue{225}.
- Fixed bug in \ref HBOND
S
that used to apear when you used DONOR
N
S and ACCEPTORS with same numbers of atoms
- Fixed bug in \ref HBOND
_MATRIX
that used to apear when you used DONORS and ACCEPTORS with same numbers of atoms
- Fixed bug in \ref DISTANCES that appears when using BETWEEN and link cells.
- Prevented users from causing segfaults by storing derivatives without LOWMEM flag. In these caess PLUMED crashes with meaningful errors.
- Fixed bug in \ref HISTOGRAM that causes nans when using KERNEL=DISCRETE option
...
...
This diff is collapsed.
Click to expand it.
src/analysis/PCA.cpp
+
1
−
1
View file @
ba4681b6
...
...
@@ -79,7 +79,7 @@ the current value of the instantaneous bias (see \ref REWEIGHT_BIAS).
d1: DISTANCE ATOMS=1,2
d2: DISTANCE ATOMS=1,3
d3: DISTANCE ATOMS=1,4
d4: DIST
N
ACE ATOMS=2,3
d4: DISTA
N
CE ATOMS=2,3
d5: DISTANCE ATOMS=2,4
d6: DISTANCE ATOMS=3,4
...
...
This diff is collapsed.
Click to expand it.
Preview
0%
Loading
Try again
or
attach a new file
.
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Save comment
Cancel
Please
register
or
sign in
to comment