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tsoc
openmm
Commits
ac37b2e7
Commit
ac37b2e7
authored
Jan 23, 2020
by
Andy Simmonett
Browse files
Fix Drude integrator units in API wrappers
parent
cc6a0ac8
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wrappers/python/src/swig_doxygen/swigInputConfig.py
wrappers/python/src/swig_doxygen/swigInputConfig.py
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wrappers/python/src/swig_doxygen/swigInputConfig.py
View file @
ac37b2e7
...
...
@@ -470,8 +470,11 @@ UNITS = {
(
"System"
,
"getConstraintParameters"
)
:
(
None
,
(
None
,
None
,
'unit.nanometer'
)),
(
"System"
,
"getForce"
)
:
(
None
,
()),
(
"System"
,
"getVirtualSite"
)
:
(
None
,
()),
(
"DrudeIntegrator"
,
"getDrudeTemperature"
)
:
(
"unit.kelvin"
,
()),
(
"DrudeIntegrator"
,
"getMaxDrudeDistance"
)
:
(
"unit.nanometer"
,
()),
(
"DrudeLangevinIntegrator"
,
"getDrudeTemperature"
)
:
(
"unit.kelvin"
,
()),
(
"DrudeLangevinIntegrator"
,
"getMaxDrudeDistance"
)
:
(
"unit.nanometer"
,
()),
(
"DrudeNoseHooverIntegrator"
,
"getVelocitiesForTemperature"
)
:
(
"unit.nanometers / unit.picosecond"
,
()),
(
"MonteCarloMembraneBarostat"
,
"MonteCarloMembraneBarostat"
)
:
(
None
,
(
"unit.bar"
,
"unit.bar*unit.nanometer"
,
"unit.kelvin"
,
None
,
None
,
None
)),
(
"MonteCarloMembraneBarostat"
,
"getXYMode"
)
:
(
None
,
()),
(
"MonteCarloMembraneBarostat"
,
"getZMode"
)
:
(
None
,
()),
...
...
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