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
df12b67a
Unverified
Commit
df12b67a
authored
Oct 08, 2019
by
peastman
Committed by
GitHub
Oct 08, 2019
Browse files
Merge pull request #2421 from dotsdl/feature-add_unit_hartree
Added hartree unit (addresses #2419)
parents
e813e19f
ad50ced2
Changes
1
Show whitespace changes
Inline
Side-by-side
Showing
1 changed file
with
2 additions
and
0 deletions
+2
-0
wrappers/python/simtk/unit/unit_definitions.py
wrappers/python/simtk/unit/unit_definitions.py
+2
-0
No files found.
wrappers/python/simtk/unit/unit_definitions.py
View file @
df12b67a
...
...
@@ -237,6 +237,8 @@ joules = joule = Unit({joule_base_unit: 1.0})
define_prefixed_units
(
joule_base_unit
,
module
=
sys
.
modules
[
__name__
])
erg_base_unit
=
ScaledUnit
(
1.0
,
dyne
*
centimeter
,
"erg"
,
"erg"
)
erg
=
ergs
=
Unit
({
erg_base_unit
:
1.0
})
hartree_base_unit
=
ScaledUnit
(
4.3597447222071e-18
,
joule
,
"hartree"
,
"Ha"
)
hartree
=
hartrees
=
Unit
({
hartree_base_unit
:
1.0
})
# In molecular simulations, "kilojoules" are in microscopic units
# And you really only want to use kilojoules/mole.
...
...
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