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021ec99
Start to new path trees
dwhswenson Aug 12, 2021
990dc9b
fix path tree for two-way TPS connectors
dwhswenson Aug 23, 2021
602c453
Start on new CLI docs
dwhswenson Nov 5, 2021
50b5bb0
updates to compile docs
dwhswenson Nov 6, 2021
b2f920d
more work on CLI docs
dwhswenson Nov 7, 2021
28c2bb4
add restart_add_step to external engines
sroet Feb 3, 2022
80120e3
add restart_at_step to external_engines and add tests
sroet Feb 3, 2022
1715e17
pep8
sroet Feb 3, 2022
fcfa716
add restart to the AD example
sroet Feb 3, 2022
53eafbb
Bump version to 1.6.2.dev0
dwhswenson Apr 29, 2024
6e0b24f
Merge pull request #1147 from dwhswenson/bump-1.6.2.dev0
dwhswenson Apr 29, 2024
04bef1d
Merge branch 'master' of github.com:openpathsampling/openpathsampling…
dwhswenson Apr 30, 2024
95f1aa0
First implementation of the SVG renderer
dwhswenson May 1, 2024
571f497
maybe convert separate plotters into subclasses?
dwhswenson May 5, 2024
b33214d
Should be pretty close to ready...
dwhswenson May 5, 2024
36384c2
Update Python version in test-openmm-rc
dwhswenson Jul 4, 2024
4e90f68
Merge pull request #1149 from dwhswenson/update-python-test-openmm-rc
dwhswenson Jul 4, 2024
6975238
Draft VolumeShootingSelector
dwhswenson Jul 13, 2024
a40b927
Fix dictkeys problem in SparseHistogram.xvals
dwhswenson Jul 13, 2024
95c2e30
refactor of new plotters
dwhswenson Jul 13, 2024
6d6c1af
more updates to refactor new path trees
dwhswenson Jul 17, 2024
ef772a6
Add test for SparseHistogram.xvals
dwhswenson Jul 17, 2024
79fd13e
Tests for VolumeSelector
dwhswenson Jul 17, 2024
61e75cb
spacing fix
dwhswenson Jul 17, 2024
d833c5c
Merge pull request #1150 from dwhswenson/fix-histogram-xvals
dwhswenson Jul 18, 2024
16d26b8
Merge branch 'master' of github.com:openpathsampling/openpathsampling…
dwhswenson Jul 18, 2024
2f017ed
Merge pull request #1151 from dwhswenson/volume-shooting-point-selector
dwhswenson Jul 23, 2024
7ad1881
minor docs update
dwhswenson Aug 12, 2024
22d1d59
Fix SQLStorageBackend.load_storable_function_table
dwhswenson Aug 12, 2024
21738fd
Custom PathDensityHistogram._ops_add_trajectory
dwhswenson Aug 12, 2024
ff2a9fd
Let UUID determine equality for ensembles
dwhswenson Aug 13, 2024
4fe14ad
Update to CodeCov v4 (using CODECOV_TOKEN secret)
dwhswenson Aug 13, 2024
d597fa3
Set codecov builds to 4
dwhswenson Aug 13, 2024
4062530
Merge pull request #1156 from dwhswenson/update-codecov
dwhswenson Aug 13, 2024
6208f29
Merge remote-tracking branch 'upstream/master' into fix-sql-backend
dwhswenson Aug 13, 2024
936341f
Merge remote-tracking branch 'upstream/master' into custom-add-ops-tr…
dwhswenson Aug 13, 2024
40050be
also check class
dwhswenson Aug 13, 2024
e6345cc
Merge remote-tracking branch 'upstream/master' into ensemble-equality…
dwhswenson Aug 13, 2024
f473daf
Merge remote-tracking branch 'upstream/master' into new_path_tree
dwhswenson Aug 13, 2024
20de376
Merge pull request #1153 from dwhswenson/fix-sql-backend
dwhswenson Aug 13, 2024
a34e74d
Merge pull request #1154 from dwhswenson/custom-add-ops-traj-pathhist
dwhswenson Aug 13, 2024
2b764bb
Merge pull request #1155 from dwhswenson/ensemble-equality-uuid
dwhswenson Aug 13, 2024
88b2f9a
Merge remote-tracking branch 'upstream/master' into new_path_tree
dwhswenson Aug 13, 2024
64aad6d
fix up some plotting errors
dwhswenson Aug 27, 2024
0d2159d
SimStore performance improvments and fixes
dwhswenson Aug 30, 2024
c7029b6
Update openpathsampling/experimental/path_tree/path_tree.py
dwhswenson Aug 30, 2024
16ede3b
remove commented code; use .plot method
dwhswenson Aug 30, 2024
16c2a89
fix typo in make_layout_blocks; warn non-use
dwhswenson Aug 30, 2024
dc67ad4
remove refactored code
dwhswenson Aug 30, 2024
3622d00
Update openpathsampling/experimental/path_tree/options.py
dwhswenson Aug 30, 2024
f4b714f
remove incorrect docstring
dwhswenson Aug 31, 2024
bbfe5d7
Merge pull request #1048 from dwhswenson/new_path_tree
dwhswenson Aug 31, 2024
4e8c21c
Merge branch 'master' of github.com:openpathsampling/openpathsampling…
dwhswenson Sep 2, 2024
8bf1f31
Switch imports from serialization_helpers => uuids
dwhswenson Sep 13, 2024
0aeb5b1
Apparently I hadn't added these tests?
dwhswenson Sep 26, 2024
474e9e6
Merge pull request #1157 from dwhswenson/uuid-indices
dwhswenson Sep 27, 2024
dafcfa6
add openpathsampling-cli to docs reqs
dwhswenson Sep 27, 2024
4a5d1f7
Merge remote-tracking branch 'upstream/master' into docs-cli-v0.3
dwhswenson Sep 27, 2024
5151c1a
docs: descriptions for sp select & move strat
dwhswenson Sep 27, 2024
b9e2818
docs: make CLI input dir relative to conf.py
dwhswenson Sep 27, 2024
844ac4c
Update docs/cli/index.rst
dwhswenson Sep 27, 2024
f1e8961
Merge pull request #1159 from dwhswenson/docs-cli-v0.3
dwhswenson Sep 27, 2024
4fae88a
Merge branch 'openpathsampling:master' into issue_1101
sroet Sep 30, 2024
4695624
Merge pull request #1105 from sroet/issue_1101
dwhswenson Oct 2, 2024
8498221
OpenPathSampling 1.7.0
dwhswenson Oct 2, 2024
2605e58
-no-cov- for ExternalEngine._communicate
dwhswenson Oct 2, 2024
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docs: make CLI input dir relative to conf.py
  • Loading branch information
dwhswenson committed Sep 27, 2024
commit b9e281856d3dcd9758bffcf902fcecc44480f0d7
5 changes: 3 additions & 2 deletions docs/conf.py
Original file line number Diff line number Diff line change
Expand Up @@ -46,8 +46,9 @@ def gen_cli_docs(config_file, stdout=False):
# -- Preparing the CLI docs -----------------------------------------------
orig_cwd = os.getcwd()
try:
cli_input_dir = os.path.abspath("./cli/compile/input/")
os.chdir(cli_input_dir)
mydir = os.path.dirname(__file__)
cli_inp_dir = os.path.abspath(os.path.join(mydir, "cli/compile/input/"))
os.chdir(cli_inp_dir)
gen_cli_docs("categories.yml", stdout=False)
finally:
os.chdir(orig_cwd)
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