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Scientific Software
MDANSE
Commits
5f1174f0
Commit
5f1174f0
authored
Jan 23, 2019
by
Remi Perenon
Browse files
Deleting unused file
parent
8c8ce000
Changes
1
Show whitespace changes
Inline
Side-by-side
template_dtsf.py
deleted
100755 → 0
View file @
8c8ce000
#!/usr/bin/python
########################################################
# This is an automatically generated MDANSE run script #
########################################################
from
MDANSE
import
REGISTRY
################################################################
# Job parameters #
################################################################
parameters
=
{}
parameters
[
'atom_selection'
]
=
'all'
parameters
[
'atom_transmutation'
]
=
None
parameters
[
'frames'
]
=
(
0
,
10
,
1
)
parameters
[
'instrument_resolution'
]
=
(
'gaussian'
,
{
'mu'
:
0.0
,
'sigma'
:
10.0
})
parameters
[
'output_files'
]
=
(
'output'
,
[
'netcdf'
])
parameters
[
'q_vectors'
]
=
(
'spherical_lattice'
,
{
'width'
:
0.1
,
'n_vectors'
:
50
,
'shells'
:
(
0.1
,
5
,
0.1
)})
parameters
[
'running_mode'
]
=
(
'monoprocessor'
,
1
)
parameters
[
'trajectory'
]
=
'/home/pellegrini/git/mdanse/Data/Trajectories/MMTK/waterbox_in_periodic_universe.nc'
parameters
[
'weights'
]
=
'b_coherent'
################################################################
# Setup and run the analysis #
################################################################
dtsf
=
REGISTRY
[
'job'
][
'dtsf'
]()
dtsf
.
run
(
parameters
,
status
=
True
)
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