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Scientific Software
MDANSE
Commits
6002411b
Commit
6002411b
authored
Sep 21, 2018
by
Remi Perenon
Browse files
Merge branch 'release-1.2.x'
parents
71410a3f
1f507da1
Pipeline
#4496
passed with stages
in 23 minutes and 9 seconds
Changes
4
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2
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CHANGELOG
View file @
6002411b
version 1.2.1
--------------
* FIXED issue #39 Time scale in Gromacs converter was incorrect
version 1.2.0
--------------
* ADDED issue #27 Better error handling when an error occurs when running an analysis from the GUI
...
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Data/Jobs_reference_data/gromacs_reference.nc
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6002411b
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Src/Framework/Jobs/Gromacs.py
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6002411b
...
...
@@ -109,7 +109,7 @@ class GromacsConverter(Converter):
self
.
_universe
.
foldCoordinatesIntoBox
()
# The current time.
t
=
times
[
0
]
*
Units
.
f
s
t
=
times
[
0
]
*
Units
.
p
s
# Store a snapshot of the current configuration in the output trajectory.
self
.
_snapshot
(
data
=
{
'time'
:
t
})
...
...
Src/__pkginfo__.py
View file @
6002411b
...
...
@@ -25,9 +25,9 @@ __repo__ = "https://code.ill.fr/scientific-software/mdanse/"
__license__
=
"GPL 3"
__version__
=
"1.2.
0
"
__version__
=
"1.2.
1
"
__date__
=
"1
8
-09-2018"
__date__
=
"
2
1-09-2018"
__commit__
=
"undefined"
...
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