Skip to content
GitLab
Menu
Projects
Groups
Snippets
Loading...
Help
Help
Support
Community forum
Keyboard shortcuts
?
Submit feedback
Contribute to GitLab
Sign in
Toggle navigation
Menu
Open sidebar
tsoc
openmm
Commits
098c778e
"platforms/reference/vscode:/vscode.git/clone" did not exist on "1010df3365f3d19062153d99b8dc95c1a3deb3ad"
Commit
098c778e
authored
May 26, 2015
by
peastman
Browse files
Moved the MTS and aMD integrators to simtk.openmm
parent
6dd0c6f1
Changes
4
Hide whitespace changes
Inline
Side-by-side
Showing
4 changed files
with
3 additions
and
3 deletions
+3
-3
wrappers/python/simtk/openmm/__init__.py
wrappers/python/simtk/openmm/__init__.py
+2
-0
wrappers/python/simtk/openmm/amd.py
wrappers/python/simtk/openmm/amd.py
+0
-0
wrappers/python/simtk/openmm/app/__init__.py
wrappers/python/simtk/openmm/app/__init__.py
+1
-3
wrappers/python/simtk/openmm/mtsintegrator.py
wrappers/python/simtk/openmm/mtsintegrator.py
+0
-0
No files found.
wrappers/python/simtk/openmm/__init__.py
View file @
098c778e
...
@@ -20,6 +20,8 @@ if sys.platform == 'win32':
...
@@ -20,6 +20,8 @@ if sys.platform == 'win32':
from
simtk.openmm.openmm
import
*
from
simtk.openmm.openmm
import
*
from
simtk.openmm.vec3
import
Vec3
from
simtk.openmm.vec3
import
Vec3
from
mtsintegrator
import
MTSIntegrator
from
amd
import
AMDIntegrator
,
AMDForceGroupIntegrator
,
DualAMDIntegrator
if
os
.
getenv
(
'OPENMM_PLUGIN_DIR'
)
is
None
and
os
.
path
.
isdir
(
version
.
openmm_library_path
):
if
os
.
getenv
(
'OPENMM_PLUGIN_DIR'
)
is
None
and
os
.
path
.
isdir
(
version
.
openmm_library_path
):
pluginLoadedLibNames
=
Platform
.
loadPluginsFromDirectory
(
os
.
path
.
join
(
version
.
openmm_library_path
,
'plugins'
))
pluginLoadedLibNames
=
Platform
.
loadPluginsFromDirectory
(
os
.
path
.
join
(
version
.
openmm_library_path
,
'plugins'
))
...
...
wrappers/python/simtk/openmm/
app/
amd.py
→
wrappers/python/simtk/openmm/amd.py
View file @
098c778e
File moved
wrappers/python/simtk/openmm/app/__init__.py
View file @
098c778e
...
@@ -4,7 +4,7 @@ OpenMM Application
...
@@ -4,7 +4,7 @@ OpenMM Application
__docformat__
=
"epytext en"
__docformat__
=
"epytext en"
__author__
=
"Peter Eastman"
__author__
=
"Peter Eastman"
__copyright__
=
"Copyright 201
1
, Stanford University and Peter Eastman"
__copyright__
=
"Copyright 201
5
, Stanford University and Peter Eastman"
__credits__
=
[]
__credits__
=
[]
__license__
=
"MIT"
__license__
=
"MIT"
__maintainer__
=
"Peter Eastman"
__maintainer__
=
"Peter Eastman"
...
@@ -30,8 +30,6 @@ from checkpointreporter import CheckpointReporter
...
@@ -30,8 +30,6 @@ from checkpointreporter import CheckpointReporter
from
charmmcrdfiles
import
CharmmCrdFile
,
CharmmRstFile
from
charmmcrdfiles
import
CharmmCrdFile
,
CharmmRstFile
from
charmmparameterset
import
CharmmParameterSet
from
charmmparameterset
import
CharmmParameterSet
from
charmmpsffile
import
CharmmPsfFile
,
CharmmPSFWarning
from
charmmpsffile
import
CharmmPsfFile
,
CharmmPSFWarning
from
mtsintegrator
import
MTSIntegrator
from
amd
import
AMDIntegrator
,
AMDForceGroupIntegrator
,
DualAMDIntegrator
# Enumerated values
# Enumerated values
...
...
wrappers/python/simtk/openmm/
app/
mtsintegrator.py
→
wrappers/python/simtk/openmm/mtsintegrator.py
View file @
098c778e
File moved
Write
Preview
Markdown
is supported
0%
Try again
or
attach a new file
.
Attach a file
Cancel
You are about to add
0
people
to the discussion. Proceed with caution.
Finish editing this message first!
Cancel
Please
register
or
sign in
to comment