Skip to content
GitLab
Explore
Sign in
Primary navigation
Search or go to…
Project
O
openstructure
Manage
Activity
Members
Code
Repository
Branches
Commits
Tags
Repository graph
Compare revisions
Deploy
Releases
Container registry
Model registry
Analyze
Contributor analytics
Repository analytics
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
schwede
openstructure
Commits
effe6c9b
Commit
effe6c9b
authored
10 years ago
by
Studer Gabriel
Browse files
Options
Downloads
Patches
Plain Diff
updated documentation for settings
parent
5747adeb
Branches
Branches containing commit
Tags
Tags containing commit
No related merge requests found
Changes
1
Hide whitespace changes
Inline
Side-by-side
Showing
1 changed file
modules/mol/mm/doc/settings.rst
+20
-0
20 additions, 0 deletions
modules/mol/mm/doc/settings.rst
with
20 additions
and
0 deletions
modules/mol/mm/doc/settings.rst
+
20
−
0
View file @
effe6c9b
...
...
@@ -143,6 +143,26 @@ of the :class:`Simulation` object.
is used, the attribute openmm_plugin_directory has to be set accordingly.
default: mm.Reference
.. attribute:: reference_properties
:class:`dict` of OpenMM specific properties, that can be set for the
reference platform.
.. attribute:: cpu_properties
:class:`dict` of OpenMM specific properties, that can be set for the
cpu platform.
.. attribute:: opencl_properties
:class:`dict` of OpenMM specific properties, that can be set for the
opencl platform.
.. attribute:: cuda_properties
:class:`dict` of OpenMM specific properties, that can be set for the
cuda platform.
.. attribute:: add_thermostat
Flag, whether an Andersen thermostat should be attached when settings up
...
...
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