13 Commits

Author SHA1 Message Date
Peter Eastman
2fbed59258 Created PythonForce (#5122)
* Initial implementation of PythonForce

* Continuing implementation of PythonForce

* Tests for PythonForce

* Fix memory leaks

* Documentation for PythonForce

* Fixed incorrect return type

* Fix compilation error on Python older than 3.12

* Handle all dtypes

* Optimizations to PythonForce

* Optimized getPositions()

* Test all platforms

* Fix test failures
2025-11-12 09:14:19 -08:00
Evan Pretti
3076825e19 Update logo, styles and font in documentation (#5090) 2025-09-25 08:59:23 -07:00
Evan Pretti
ae57f2f78b Update documentation copyright strings 2025-08-05 11:19:19 -07:00
Stephen Farr
e069e1f147 Add link to cookbook and tutorials in docs sidepane (#4075) 2023-08-24 10:23:12 -07:00
Josh A. Mitchell
ae2fe2fd7d Move to actively maintained dependencies for API docs (#3201)
* Proof of concept matching current behaviour with Breathe

* Reorganise C++ API docs to work without autosummary

* Revert to Sphinx-native search

* Move remaining pip deps to conda

* Remove unnecessary lunrsearch templates

* Remove lunrsearch from cmake

* Tidy up layout of API docs

* Get code blocks to work with Breathe

Breathe doesn't seem to support the Doxygen <preformatted> tag.
It does support the <code> tag, but better yet it supports using
<verbatim> tags to embed rst into docstrings. This commit changes
all <pre> tags to use RST verbatim, and updates the Python
documentation machinery to support it too.

* Clarified some language

* Have doxygen exclude undocumented classes and have sphinx fail on warnings for C++ API docs

* List custom forces and integrators last

* Add breathe to documentation CI

* Typo

* Fix link to custom forces in extras.rst

* Have Breathe process only public classes

* Strip OpenMM:: prefix from rst files to avoid colons in links

* Remove existing private classes from EXCLUDE_SYMBOLS

* Add comment to C++ cmake describing why we promote warnings to errors

* Revise documentation build instructions for new dependencies
2021-08-11 09:38:26 -07:00
Josh A. Mitchell
f5166695cb Reorganise documentation (#3165)
* Break user guide into parts

* Break up file I missed

* Add basic .gitignore to suit out-of-tree builds in build, build1, build2 ... build9

* Small changes to autonumber.py for doc compilation

This is a small change designed not to fix the incorrect logic of
autonumber.py, but just to get the docs compiling. While assigning
numbers, the code now just ignores the autonumber_by_chapter
setting for a particular object if it can't find the appropriate
section in section_numbers. This is a temporary fix!

* Include part and chapter in autonumbered objects

* Fix autonumber.py to correctly reference autonumber roles in file-level sections

* Unify and simplify styling across documentation

* Break dev docs down into individual chapter-files

* Correct absolute links to relative

* Disable browser suggestions for lunrsearch box in API docs

* Remove part name from chapter 2.1

* Rename ambiguous 'Home' link to OpenMM.org

* Typo

* Minor fixes and reversions

Reverts some changes I had made and later thought better of,
and fixes some recurring typos across the documentation.

* Number developers guide chapters

* Fix responsiveness

* Remove header.rst and center captions

* Add a level of depth to main TOC and styling to accomodate

* Add third level to Part-level TOCs

* Use :numref: instead of :ref: to number links to sections

* Continuously number chapters in user guide

* navbar links to other docs relative, not absolute

* Improve navbar spacing with new template

* Fix sidebar while allowing it to scroll

* Hard -> Soft links for navigation.html template

* Add navigation.html template to cmakelists

* Add another level of .. to relative links

* Fix flex on C++ and remove layer of ..
2021-07-15 17:34:23 -07:00
Peter Eastman
0352909efa Changes to work with recent versions of Sphinx (#3138)
* Changes to work with recent versions of Sphinx

* Updated Sphinx version used for CI
2021-06-15 08:08:49 -07:00
Peter Eastman
e53bdc5eab Top level Python module is now "openmm" (#3000)
* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning
2021-02-01 09:40:37 -08:00
Robert T. McGibbon
db0e4218b2 Add _template path 2015-12-03 15:17:53 -08:00
Robert McGibbon
9af3e56bf1 Add new search extension 2015-11-14 23:45:04 -08:00
Robert McGibbon
019480d6c5 Nicer with napoleon I think 2015-11-04 00:24:59 -08:00
Robert McGibbon
292f9ab53a Fix install 2015-11-03 19:33:59 -08:00
Robert McGibbon
22784f48d4 Add CMake files 2015-11-03 16:34:22 -08:00