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Bond-Angle-Torsions coordinate module #2668

Merged
merged 55 commits into from
Jul 1, 2020
Merged

Bond-Angle-Torsions coordinate module #2668

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cfd1630
Create bat.py
daveminh Apr 22, 2020
7f5fc34
renamed variables as private, ran yapf, worked on documentation
daveminh Apr 22, 2020
4438388
Added test
daveminh Apr 22, 2020
95c4b9f
Resolved issues prior to pull request
daveminh Apr 23, 2020
4464a32
Update package/MDAnalysis/analysis/bat.py
daveminh Jun 15, 2020
8355a27
Merge remote-tracking branch 'upstream/develop' into develop
daveminh Jun 17, 2020
6d527a8
Create bat.py
daveminh Apr 22, 2020
044833e
renamed variables as private, ran yapf, worked on documentation
daveminh Apr 22, 2020
86c4aa4
Added test
daveminh Apr 22, 2020
38d5939
Resolved issues prior to pull request
daveminh Apr 23, 2020
e5a5a35
Updates to bat.py
daveminh Jun 15, 2020
4799176
Integrated some suggestions from code review
daveminh Jun 17, 2020
435a7a4
Updated test and documentation
daveminh Jun 17, 2020
2a2ecca
Merge branch 'BAT' into develop
daveminh Jun 17, 2020
af250d4
Adding bat back
daveminh Jun 17, 2020
8bf9134
Delete .duecredit.p
daveminh Jun 17, 2020
359902f
Removing default.profaw
daveminh Jun 17, 2020
e0e8532
Added test for nc I/O
daveminh Jun 17, 2020
8203d78
Merge pull request #2 from CCBatIIT/BAT
daveminh Jun 17, 2020
115805c
Update package/MDAnalysis/analysis/bat.py
daveminh Jun 17, 2020
f6c9cc7
Update package/MDAnalysis/analysis/bat.py
daveminh Jun 17, 2020
62cd6eb
Updating documentation
daveminh Jun 17, 2020
c15374e
Update package/MDAnalysis/analysis/bat.py
daveminh Jun 17, 2020
65e031f
Replacing bat_nc wiht filename
daveminh Jun 17, 2020
2ce3955
Using numpy array for BAT.bat
daveminh Jun 18, 2020
e04c3d2
Sanity checks on load
daveminh Jun 18, 2020
52a5378
Fixed bug with bug check
daveminh Jun 18, 2020
addc3e8
Documentation improvements
daveminh Jun 18, 2020
b177895
Example for Cartesian
daveminh Jun 18, 2020
6853d4c
Tests for raising exceptions
daveminh Jun 18, 2020
755d7a5
Removing bat.py for easier rebase.
daveminh Jun 18, 2020
407bdcd
Revert "Removing bat.py for easier rebase."
daveminh Jun 18, 2020
7b0112a
Updated CHANGELOG
daveminh Jun 18, 2020
7159b70
Create bat.py
daveminh Apr 22, 2020
e8f0cee
renamed variables as private, ran yapf, worked on documentation
daveminh Apr 22, 2020
bd3cfd4
Added test
daveminh Apr 22, 2020
fea6186
Update package/MDAnalysis/analysis/bat.py
daveminh Jun 15, 2020
545ad84
Create bat.py
daveminh Apr 22, 2020
389e534
Integrated some suggestions from code review
daveminh Jun 17, 2020
4648924
Updated test and documentation
daveminh Jun 17, 2020
ec46edf
Adding bat back
daveminh Jun 17, 2020
30dd4be
Using numpy array for BAT.bat
daveminh Jun 18, 2020
2827135
Sanity checks on load
daveminh Jun 18, 2020
8e7f85e
Fixed bug with bug check
daveminh Jun 18, 2020
ed29a54
Revert "Removing bat.py for easier rebase."
daveminh Jun 18, 2020
69ff1e6
Updated CHANGELOG
daveminh Jun 18, 2020
75db6c9
Fixing after rebase
daveminh Jun 18, 2020
61fd827
Merge branch 'develop' of https://github.com/CCBatIIT/mdanalysis into…
daveminh Jun 18, 2020
ee5d05c
Update test_bat.py
daveminh Jun 18, 2020
62bdaac
Delete test_bat_IO.npy
daveminh Jun 18, 2020
c6db09b
Refining bat.py documentation
daveminh Jun 18, 2020
5153359
Update CHANGELOG
daveminh Jul 1, 2020
55a4b97
Merge branch 'develop' into This-is-lame
daveminh Jul 1, 2020
bf26ad0
Update package/CHANGELOG
daveminh Jul 1, 2020
7431ea2
Update CHANGELOG
daveminh Jul 1, 2020
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