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4a453af
Move the water bridge analysis to the new analysis class
xiki-tempula Oct 3, 2018
87b5c4e
Fix pbc error
xiki-tempula Oct 5, 2018
0f56666
Add hydrogen bond testing to the water bridge test cases
xiki-tempula Oct 5, 2018
3337e25
fixed test
xiki-tempula Oct 5, 2018
0cae5fe
Change the wrong test file
xiki-tempula Oct 5, 2018
ae9e386
solve unordered table problem
xiki-tempula Oct 5, 2018
635be54
remove test
xiki-tempula Oct 5, 2018
9b28e58
resolve conflict
xiki-tempula Nov 15, 2018
f9921e5
Correct an error
xiki-tempula Nov 15, 2018
0bf0dc1
Merge branch 'develop' of https://github.com/MDAnalysis/mdanalysis in…
xiki-tempula Nov 22, 2018
a82026e
Two tests were added.
xiki-tempula Nov 27, 2018
3f22767
Merge branch 'develop' of https://github.com/MDAnalysis/mdanalysis in…
xiki-tempula Dec 4, 2018
916b055
Merge branch 'develop' into new_wba
xiki-tempula Dec 6, 2018
2d5576a
Update CHANGELOG
xiki-tempula Dec 6, 2018
f3f0013
Crank up the test converage
xiki-tempula Dec 6, 2018
2cc94e5
Updated according to comments
xiki-tempula Dec 18, 2018
777e4e7
Merge branch 'develop' into new_wba
xiki-tempula Dec 18, 2018
1051c0c
Fix the timeseries
xiki-tempula Dec 18, 2018
992b808
Merge branch 'new_wba' of https://github.com/xiki-tempula/mdanalysis …
xiki-tempula Dec 18, 2018
ab7ed0c
remove tests from hydrogen bond analysis
xiki-tempula Dec 18, 2018
160d564
a bit of error
xiki-tempula Dec 18, 2018
34b04e9
Add a brief theory session
xiki-tempula Jan 10, 2019
61a3762
Update the doc to make it more clear
xiki-tempula Jan 10, 2019
b5791c5
minor update
xiki-tempula Jan 10, 2019
f20a904
Update the doc and the underlying data
Apr 7, 2019
26d09ea
Merge branch 'develop' into new_wba
xiki-tempula Apr 7, 2019
be3fde3
fix bug
xiki-tempula Apr 7, 2019
fb5b840
Merge branch 'new_wba' of https://github.com/xiki-tempula/mdanalysis …
xiki-tempula Apr 7, 2019
8e8837f
Merge branch 'develop' into new_wba
orbeckst Aug 9, 2019
ebf2fb2
Corrections being made
Aug 11, 2019
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2 changes: 2 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -36,3 +36,5 @@ package/doc/html/
MDAnalysis.log
# Ignore the authors.py files as they are generated files
authors.py
# Ignore the .DS_Store file in the osx file system
*.DS_Store
7 changes: 6 additions & 1 deletion package/CHANGELOG
Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@ The rules for this file:
mm/dd/yy micaela-matta, xiki-tempula, zemanj, mattwthompson, orbeckst, aliehlen,
dpadula85, jbarnoud, manuel.nuno.melo, richardjgowers, mattwthompson,
ayushsuhane, picocentauri, NinadBhat, bieniekmateusz, p-j-smith, Lp0lp,
IAlibay, tyler.je.reddy, aakognole, RMeli
IAlibay, tyler.je.reddy, aakognole, RMeli

* 0.20.0

Expand Down Expand Up @@ -62,6 +62,7 @@ Enhancements
* added unwrap keyword to center_of_mass (PR #2286)
* added unwrap keyword to moment_of_inertia (PR #2287)
* added unwrap keyword to asphericity (PR #2290)
* add high order water bridge support to water bridge analysis. (PR #2087)

Changes
* added official support for Python 3.7 (PR #1963)
Expand All @@ -72,6 +73,7 @@ Changes
PR #2201)
* changed fudge_factor in guess_bonds to deal with new vdw radii (#2138, PR #2142)
* bump minimum numpy version to 1.13.3
* changed the water bridge analysis output format (PR #2087)

Fixes
* fixes ProgressMeter issues with older Jupyter Lab versions (Issue #2078)
Expand Down Expand Up @@ -125,6 +127,9 @@ Fixes
Deprecations
* analysis.polymer.PersistenceLength no longer requires the perform_fit()
method to be used, this is done automatically in run()

Testsuite
* Add tests for the new water bridge analysis (PR #2087)

11/06/18 richardjgowers
* 0.19.2
Expand Down
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