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Scientific Software
MDANSE
Commits
7338bd81
Commit
7338bd81
authored
Nov 17, 2015
by
eric pellegrini
Browse files
Set the default weight of disf to b_incoherent2
parent
0db554c6
Changes
1
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Inline
Side-by-side
MDANSE/Framework/Jobs/DynamicIncoherentStructureFactor.py
View file @
7338bd81
...
...
@@ -62,7 +62,7 @@ class DynamicIncoherentStructureFactor(IJob):
settings
[
'grouping_level'
]
=
(
'grouping_level'
,{
"dependencies"
:{
'trajectory'
:
'trajectory'
,
'atom_selection'
:
'atom_selection'
,
'atom_transmutation'
:
'atom_transmutation'
}})
settings
[
'atom_transmutation'
]
=
(
'atom_transmutation'
,{
"dependencies"
:{
'trajectory'
:
'trajectory'
,
'atom_selection'
:
'atom_selection'
}})
settings
[
'projection'
]
=
(
'projection'
,
{
"label"
:
"project coordinates"
})
settings
[
'weights'
]
=
(
'weights'
,
{
'default'
:
'b_incoherent'
,
"dependencies"
:{
'trajectory'
:
'trajectory'
,
'atom_selection'
:
'atom_selection'
,
'atom_transmutation'
:
'atom_transmutation'
}})
settings
[
'weights'
]
=
(
'weights'
,
{
'default'
:
'b_incoherent
2
'
,
"dependencies"
:{
'trajectory'
:
'trajectory'
,
'atom_selection'
:
'atom_selection'
,
'atom_transmutation'
:
'atom_transmutation'
}})
settings
[
'output_files'
]
=
(
'output_files'
,
{
"formats"
:[
"netcdf"
,
"ascii"
]})
settings
[
'running_mode'
]
=
(
'running_mode'
,{})
...
...
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