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import re from .torque import Torque __all__ = ('SlurmTorque',) class SlurmTorque(Torque): """ A CLI job executor for Slurm's Torque compatibility mode. This differs from real torque CLI in that -x command line is not available so job status needs to be parsed from qstat table instead of XML. """ ...
ssorgatem/pulsar
pulsar/managers/util/cli/job/slurm_torque.py
Python
apache-2.0
905
[ "Galaxy" ]
6d02c5a4b80c644c5b7cbdd882879e919a39d6484f3b501d4857124d881c38e4
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/scf/stability.py
Python
apache-2.0
19,152
[ "PySCF" ]
8abd85aa78721287001e5bbf1dbe844f359f87948f17c991fd0e9f09d450cf96
# -*- coding: utf-8 -*- # Copyright 2007-2016 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at...
francisco-dlp/hyperspy
hyperspy/components1d.py
Python
gpl-3.0
3,552
[ "Gaussian" ]
58ad9cfbc21e36cc72cad2cfe2bae764e67e687a5865a5d8c69c855ec40a726e
# asciixmas # December 1989 Larry Bartz Indianapolis, IN # # $Id$ # # I'm dreaming of an ascii character-based monochrome Christmas, # Just like the ones I used to know! # Via a full duplex communications channel, # At 9600 bits per second, # Even though it's kinda slow. # # I'm dreaming of an asc...
teeple/pns_server
work/install/Python-2.7.4/Demo/curses/xmas.py
Python
gpl-2.0
25,446
[ "Amber" ]
b12576cf11d4b3c462884198a09cd45828431f7fc8061906c69acda6748b16a5
from six import assertRaisesRegex from unittest import TestCase from tempfile import mkstemp from os import close, unlink, write from contextlib import contextmanager from pysam import CHARD_CLIP, CMATCH from dark.reads import Read, ReadFilter from dark.sam import ( PaddedSAM, SAMFilter, UnequalReferenceLengthErr...
terrycojones/dark-matter
test/test_sam.py
Python
mit
45,018
[ "pysam" ]
5b68ab0d24d25142d4d8997eec32e48bd42ad1ed194eb176a67bb39ba4bfc6e3
# Copyright 2019 DeepMind Technologies Limited and Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # https://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applic...
deepmind/deepmind-research
cs_gan/gan.py
Python
apache-2.0
6,384
[ "Gaussian" ]
25a3c621cabfc064457b585c105e7be51def91c5422b60cd3f4c74784088d355
# (c) 2012, Michael DeHaan <michael.dehaan@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any lat...
wkeeling/ansible
lib/ansible/template/safe_eval.py
Python
gpl-3.0
4,814
[ "VisIt" ]
6397c3eef0a90da12135bf9fb54e3d804283d4dfda12438a2002cbca6788a874
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
psi4/psi4
psi4/driver/qcdb/basislistother.py
Python
lgpl-3.0
32,066
[ "ORCA", "Psi4" ]
77929127012ab222a7499557bbdb52c85cb14c95060cf6facc0744ac198bc5d8
from __future__ import print_function, division from os.path import join import tempfile import shutil from io import BytesIO try: from subprocess import STDOUT, CalledProcessError from sympy.core.compatibility import check_output except ImportError: pass from sympy.utilities.exceptions import SymPyDepre...
hrashk/sympy
sympy/printing/preview.py
Python
bsd-3-clause
11,827
[ "VisIt" ]
56c63caefdb6b8c0cf7f2c7107b9ff8345717068d170c03f37339d94754f8d3e
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding: utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
alejob/mdanalysis
package/MDAnalysis/topology/GMSParser.py
Python
gpl-2.0
3,946
[ "GAMESS", "MDAnalysis" ]
2610f9166f9dde3a5eb6432f706caff3d886c7894b49c9850df672273da15423
# ------------------------------------------------------------------------- # Name: Waterdemand module # Purpose: # # Author: PB # # Created: 15/07/2016 # Copyright: (c) PB 2016 # ------------------------------------------------------------------------- import numpy as np from cwatm.management_module...
CWatM/CWatM
cwatm/hydrological_modules/water_demand/water_demand.py
Python
gpl-3.0
52,255
[ "NetCDF" ]
69cda85a640966890de11b70cfdce53fb60babf50e0769f70fe00f9beac77441
from setuptools import setup setup(name='gmshtoparticles', version='0.1', description='Transforms a .msh file generated with Gmsh into a particles centered inside each triangle or quad element. Outputs a .csv file description and .vtk/.vtu visualization set of files', url='https://github.com/IaPCS/g...
IaPCS/gmsh-to-nodes
setup.py
Python
gpl-3.0
526
[ "VTK" ]
77800d466430e5b7d577d2280d744c00b92aa83961cfa22b115c89a84ef73a43
# -*- coding: utf-8 -*- """ SpykeDemo.py creates a Layer of neurons and a connection matrix and steps it through several iterations with an injected current. Created on Sun Oct 04 23:26:52 2015 This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License a...
DrSpyke/Spyke
SpykeDemo.py
Python
gpl-2.0
1,335
[ "NEURON" ]
a384d2be2b8c432250d31404fe8e78fe03908d84ff19a0d68b4e287e7671b018
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """Setup.py for pymatgen.""" import sys import platform from setuptools import setup, find_packages, Extension from setuptools.command.build_ext import build_ext as _build_ext class build_ext(_build_ext): ...
gVallverdu/pymatgen
setup.py
Python
mit
9,220
[ "ABINIT", "ASE", "CRYSTAL", "FEFF", "Gaussian", "LAMMPS", "NWChem", "VASP", "VTK", "pymatgen" ]
ad9e7528aed142aff31ba13d14b530f3e99396b8ec8c3911e5b0d6555b7667db
#! /usr/bin/env python import math, sys, os , platform from collections import Iterable from optparse import OptionParser import pybel2 import openbabel as op import numpy as np # http://openbabel.org/dev-api/classOpenBabel_1_1OBMol.shtml Molecule=pybel2.Molecule Atom=pybel2.Atom Bond=pybel2.Bond def pqrbug(filename...
platinhom/CADDHom
python/molecule/OBabel/pybel_feature.py
Python
gpl-2.0
18,144
[ "Pybel" ]
b9d12280a21c0807d7f77f8c6f65ca15a88de554e8f283a41e3aef2c5a924551
# $HeadURL$ """ Cache for the Plotting service plots """ __RCSID__ = "$Id$" import os import os.path import time import threading from DIRAC import S_OK, S_ERROR, gLogger, rootPath from DIRAC.Core.Utilities.DictCache import DictCache from DIRAC.Core.Utilities import Time from DIRAC.Core.Utilities.Graphs import grap...
calancha/DIRAC
FrameworkSystem/Service/PlotCache.py
Python
gpl-3.0
2,388
[ "DIRAC" ]
400e1f876497612ad5d398315f762fa27418bd6588ec1f85d479572f8f189d73
""" PilotCommand The PilotCommand class is a command class to know about present pilots efficiency. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = '$Id$' from DIRAC import S_OK, S_ERROR from DIRAC.ConfigurationSystem.Client.Helpers.Re...
yujikato/DIRAC
src/DIRAC/ResourceStatusSystem/Command/PilotCommand.py
Python
gpl-3.0
5,800
[ "DIRAC" ]
154042b7cb2afb7c0af35d93793286e4cda6e62cdae391646334d3451eaab8b2
""" The controllers module provides different controller classes, applicable to different simulations. A controller object's job is to control simulations- At a high level a controller objects accepts a list of parameters and chromosomes and (usually) returns corresponding simulation data. This is implemented polympo...
vellamike/neurotune
neurotune/controllers.py
Python
bsd-3-clause
17,830
[ "NEURON" ]
2ce68aa3babc85e70e722695cc13b853e45912f5e7fcdff5fef0702c5ff3e570
''' PathwayGenie (c) GeneGenie Bioinformatics Ltd. 2018 PathwayGenie is licensed under the MIT License. To view a copy of this license, visit <http://opensource.org/licenses/MIT/>. @author: neilswainston ''' # pylint: disable=no-member # pylint: disable=too-many-arguments import RNA def run(cmd, sequences, temp, ...
neilswainston/PathwayGenie
parts_genie/vienna_utils.py
Python
mit
3,317
[ "VisIt" ]
93f387907354379e3b3e501da41e6c41f4be0ce5970d3c70155cee68073aa894
# -*- coding: utf-8 -*- """ Unitary Event (UE) analysis is a statistical method to analyze in a time resolved manner excess spike correlation between simultaneously recorded neurons by comparing the empirical spike coincidences (precision of a few ms) to the expected number based on the firing rates of the neurons (see...
alperyeg/elephant
elephant/unitary_event_analysis.py
Python
bsd-3-clause
28,001
[ "NEURON" ]
05d30f6eaf7a6268d866dacdba24f472c197a96e3caefc60fb2849e0f48d00a7
import numpy as np from ase import Atoms from gpaw import GPAW from gpaw.wavefunctions.pw import PW from gpaw.test import equal bulk = Atoms('Li', pbc=True) k = 4 calc = GPAW(mode=PW(200), kpts=(k, k, k), eigensolver='rmm-diis') bulk.set_calculator(calc) e = [] niter = [] A = [2.6, 2.65, 2.7, 2.75, 2.8] for a in A: ...
robwarm/gpaw-symm
gpaw/test/pw/bulk.py
Python
gpl-3.0
488
[ "ASE", "GPAW" ]
bc3361a389c903f40dcc01dc485614ef74cf0727452bb2753b7f16f403236e9f
import time, sys import numpy as np import matplotlib.pyplot as plt sys.path.append('../../') from py2Periodic.physics import twoLayerQG from numpy import pi params = { 'f0' : 1.0e-4, 'Lx' : 1.0e6, 'beta' : 1.5e-11, 'defRadius' : 1.5e4, 'H1' : 500.0, 'H2' ...
glwagner/py2Periodic
tests/twoLayerQG/testTwoLayerTopography.py
Python
mit
1,545
[ "Gaussian" ]
7dd55bea08f080aca4f4d7d2b819460d7e559f3ba0689103ef3795721d337a06
# $ ipython --gui=wx # In [1]: %run visualization/plot-2.py # In [2]: plot("z_dual_1.norms") from mayavi import mlab import numpy import re def mycolor(x): """Returns a color vector (a triple of floats) based on x, where x is in the range [0, 1]. """ lut = [ [ 0, 0, 0, 255], ...
FreeON/spammpack
spammsand/visualization/plot-2.py
Python
bsd-3-clause
24,103
[ "Mayavi" ]
0946fc64eb57e449d5dd7ffc64ff8d1e91104d25b14c36c789a9dc1eb3bb179d
# -*- coding: utf-8 -*- ''' Copyright (c) 2018 by Tobias Houska This file is part of Statistical Parameter Optimization Tool for Python(SPOTPY). :author: Tobias Houska ''' from . import _algorithm from .. import analyser class list_sampler(_algorithm): """ This class holds the List sampler, which samples from a...
thouska/spotpy
spotpy/algorithms/list_sampler.py
Python
mit
3,003
[ "Gaussian" ]
65eabddea901838ed9d187a057b93ec11d3fb6fe630b443f957a389020df76e6
# ---------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # --------------------------------------------...
Kleptobismol/scikit-bio
skbio/sequence/tests/test_sequence.py
Python
bsd-3-clause
56,349
[ "scikit-bio" ]
278d9eaf95c56c0c1c0b9b35cc369837e872090170b43bbf5636f735cf77a668
#-*- coding: utf8 # Author: David C. Lambert [dcl -at- panix -dot- com] # Copyright(c) 2013 # License: Simple BSD """The :mod:`random_layer` module implements Random Layer transformers. Random layers are arrays of hidden unit activations that are random functions of input activation values (dot products for simple ac...
ashishbaghudana/mthesis-ashish
resources/tees/Utils/Libraries/PythonELM/random_layer.py
Python
mit
18,828
[ "Gaussian" ]
26318986f16c89ee5ea3c6b356471999c3afbad256050cfec6b1b21ad545ed08
""" Using otagrum ============= """ # %% import openturns as ot import pyAgrum as gum from matplotlib import pylab as plt import otagrum # %% def showDot(dotstring): try: # fails outside notebook import pyAgrum.lib.notebook as gnb gnb.showDot(dotstring) except ImportError: impo...
openturns/otagrum
python/doc/examples/plot_using_otagrum.py
Python
lgpl-3.0
5,402
[ "Gaussian" ]
60a5ce495dcb73bc9505e73fd28483fc85b93618c2c079ea962c5decca909be3
#!/usr/bin/env python # Copyright (c) 2012 ARM Limited # All rights reserved # # The license below extends only to copyright in the software and shall # not be construed as granting a license to any other intellectual # property including but not limited to intellectual property relating # to a hardware implementation...
prodromou87/gem5
util/cpt_upgrader.py
Python
bsd-3-clause
12,954
[ "VisIt" ]
245c973228a71047459f52d51f6cc4bddd5b4bedf77b42b1130973b8ce3768e8
# -*- coding: utf-8 -*- # Dioptas - GUI program for fast processing of 2D X-ray diffraction data # Principal author: Clemens Prescher (clemens.prescher@gmail.com) # Copyright (C) 2014-2019 GSECARS, University of Chicago, USA # Copyright (C) 2015-2018 Institute for Geology and Mineralogy, University of Cologne, Germany ...
Dioptas/Dioptas
dioptas/model/util/PeakShapes.py
Python
gpl-3.0
1,283
[ "Gaussian" ]
4749e9516f934e0fc3b6b35d3cc8d20e11accc4a294915518cb36bbcd1e34360
import os import mimetypes import copy import tempfile import shutil import logging import json from django.core.urlresolvers import reverse from django.core.exceptions import ObjectDoesNotExist, SuspiciousFileOperation from django.http import HttpResponseRedirect from django.shortcuts import redirect from django.cont...
FescueFungiShare/hydroshare
hs_core/views/resource_rest_api.py
Python
bsd-3-clause
48,034
[ "Brian" ]
3ec6b78fa4bf94835401dd5b0c0856c894a347abc7066123a1c928f7c63d08e0
""" Backports. Mostly from scikit-learn """ import numpy as np from scipy import linalg ############################################################################### # For scikit-learn < 0.14 def _pinvh(a, cond=None, rcond=None, lower=True): """Compute the (Moore-Penrose) pseudo-inverse of a hermetian matrix. ...
emmaggie/hmmlearn
hmmlearn/utils/fixes.py
Python
bsd-3-clause
6,917
[ "Gaussian" ]
f90d527c8386cbb5458998411d0e2c1e84b5f17e13f57bdd12a66952441d7162
"""Mixture model for matrix completion""" from typing import Tuple import numpy as np from scipy.special import logsumexp from common import GaussianMixture from scipy.special import logsumexp from scipy.stats import multivariate_normal def log_pdf_multivariate_gauss(x, mu, cov): #assert(mu.shape[0] > mu.shape[1])...
xunilrj/sandbox
courses/MITx/MITx 6.86x Machine Learning with Python-From Linear Models to Deep Learning/project4/netflix/em.py
Python
apache-2.0
7,765
[ "Gaussian" ]
2b8c5bfbf5b94357dfd1f1c4d2936500a44405c2933fb6293fd729be7415dbe1
#!/usr/bin/python # # Copyright 2012 Google Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or a...
codeanu/flask-login-oauth2
modules/oauth2.py
Python
bsd-3-clause
12,286
[ "VisIt" ]
43abe0d819291ec4948b377aca4cdbc5ed67d6769de97640f6af86f2386afee7
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
skosukhin/spack
var/spack/repos/builtin/packages/gromacs/package.py
Python
lgpl-2.1
3,939
[ "Gromacs" ]
f928db7daea4b4478b8089c14e17980fc1d38d8c1f207ac61757fcd5b271b103
# coding: utf-8 # Copyright (c) Materials Virtual Lab # Distributed under the terms of the BSD License. from __future__ import division, print_function, unicode_literals, \ absolute_import import numpy as np import pandas as pd from pymatgen import Element from veidt.potential.abstract import Potential from veidt...
czhengsci/veidt
veidt/potential/snap.py
Python
bsd-3-clause
6,745
[ "LAMMPS", "pymatgen" ]
7cc01bdcce2cbd34d6c7a28c05e2ea96940241cc42adaa356fae03be7caf0ffd
# -*- coding: utf-8 -*- from __future__ import absolute_import import numpy as np from roppy.sample import sample2D, sample2DU, sample2DV from roppy.depth import sdepth class Section(object): """Class for handling sections in a ROMS grid The section is defined by a sequence of nodes, supposedly quite close...
bjornaa/roppy
roppy/section.py
Python
mit
3,550
[ "NetCDF" ]
ecf80360922e32b32b41c6388c2b0eada571ec1885136faf56fca7fd158538c9
#!/usr/bin/env python # -*- coding: utf-8 -*- import vtk def main(): colors = vtk.vtkNamedColors() lineColor = colors.GetColor3d("peacock") modelColor = colors.GetColor3d("silver") backgroundColor = colors.GetColor3d("wheat") modelSource = vtk.vtkSphereSource() plane = vtk.vtkPlane() cu...
lorensen/VTKExamples
src/Python/PolyData/ExtractPolyLinesFromPolyData.py
Python
apache-2.0
2,569
[ "VTK" ]
2f92fe1e6681bce8e89d6f6eaea68f786ad6be6c26bb2bf07a07151338c49fef
# # Copyright (c) 2009-2015, Jack Poulson # All rights reserved. # # This file is part of Elemental and is under the BSD 2-Clause License, # which can be found in the LICENSE file in the root directory, or at # http://opensource.org/licenses/BSD-2-Clause # import El n0 = 25 n1 = 25 numLambdas = 3 startLambda = ...
mcopik/Elemental
examples/interface/BPDN.py
Python
bsd-3-clause
2,579
[ "Gaussian" ]
b14bbe0ef1cf43282d256a5879f581554aa2a7fed7ba37cc6d01462b2472edac
# -*- coding: utf-8 -*- from __future__ import absolute_import import random from .node import Input, Output, Neuron class Network(dict): ''' A network composed of input, neuron, and output nodes. It can be modeled as a unidirectional directed graph with edge weights. ''' def __init__(self): ...
CtrlC-Root/cse5526
spark/network.py
Python
mit
1,768
[ "NEURON" ]
5224f60d62ce73de4fde9bf70486dfa7ac2df643d11f5b91627ce5621bd6d426
# # Author: Travis Oliphant 2002-2011 with contributions from # SciPy Developers 2004-2011 # from scipy._lib._util import getfullargspec_no_self as _getfullargspec import sys import keyword import re import types import warnings import inspect from itertools import zip_longest from collections import namedt...
mdhaber/scipy
scipy/stats/_distn_infrastructure.py
Python
bsd-3-clause
146,733
[ "Gaussian" ]
441bf37fd74362c06e7e59ec233ca7cfa89a609867004d68855df6dafe1a87c7
import gpflow import numpy as np import tensorflow_probability as tfp from gpflow.utilities import set_trainable, to_default_float from . import BranchingTree as bt from . import VBHelperFunctions, assigngp_dense, assigngp_denseSparse from . import branch_kernParamGPflow as bk def FitModel( bConsider, GPt, ...
ManchesterBioinference/BranchedGP
BranchedGP/FitBranchingModel.py
Python
apache-2.0
9,710
[ "Gaussian" ]
ce02b829a0e68780b30a4e129d33c7068511cc7de1d957c84dc0892f70c10078
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() ren1 = vtk.vtkRenderer() renWin = vtk.vtkRenderWindow() renWin.SetMultiSamples(0) renWin.AddRenderer(ren1) iren = vtk.vtkRenderWindowInteractor() iren.SetRenderWindow(renWi...
hlzz/dotfiles
graphics/VTK-7.0.0/Filters/General/Testing/Python/cursor3D.py
Python
bsd-3-clause
2,339
[ "VTK" ]
dd68995bea2e405e6288569e81e3aea556b5077f23587457aa9916798ca2deb3
#coding: utf8 import numpy as N from traits.api import Int, Float, Tuple, Range from traitsui.api import View, VGroup, Item from enable.api import ColorTrait from DisplayPlugin import DisplayPlugin class BeamProfiler(DisplayPlugin): # These traits control the calculation of the Gaussian fit background_percen...
ptomato/Beams
beams/BeamProfiler.py
Python
mit
6,347
[ "Gaussian" ]
247cc1dafb7167565dcdfcd6047b102a3c86a7ef6153a15f2c7020c40043e78b
#!/usr/bin/env python # # displace.py # # Simple script to generate input files of given displacement patterns. # Currently, VASP, Quantum-ESPRESSO, and xTAPP are supported. # # Copyright (c) 2014 Terumasa Tadano # # This file is distributed under the terms of the MIT license. # Please see the file 'LICENCE.txt' in the...
ttadano/ALM
tools/displace.py
Python
mit
10,240
[ "ESPResSo", "LAMMPS", "OpenMX", "VASP" ]
5a806ff06a41649c1928e09330e54a76740718577823fde4b393ebd7a2d05a7a
#!/usr/bin/env python import numpy import itertools from pymatgen.core.lattice import Lattice from pymatgen.core.structure import Structure from crystal import fillcell, tikz_atoms def SiMn_Isite(): a = 5.43 fcc = Lattice([[a/2,a/2,0],[a/2,0,a/2],[0,a/2,a/2]]) isite = Structure(fcc,['Si']*2,[[0.00,0.00,0...
ldamewood/figures
scripts/SiMn_sites.py
Python
mit
1,478
[ "CRYSTAL", "pymatgen" ]
a4fe42cc5bfff4119fd306cad46a86cb8134c0b2b4382f7c938bf88b8b761146
''' This application uses Flask as a web server and jquery to trigger pictures with SimpleCV To use start the web server: >>> python flask-server.py Then to run the application: >>> python webkit-gtk.py *Note: You are not required to run the webkit-gtk.py, you can also visit http://localhost:5000 ''' print __doc__...
vdt/SimpleCV
SimpleCV/examples/web-based/webdisplay/flask-server.py
Python
bsd-3-clause
1,451
[ "VisIt" ]
25eb6efee748465cace6224beb30dc39c28dfada5b6f1cca3d5efbe72980160a
## # Copyright 2009-2012 Ghent University # Copyright 2009-2012 Stijn De Weirdt # Copyright 2010 Dries Verdegem # Copyright 2010-2012 Kenneth Hoste # Copyright 2011 Pieter De Baets # Copyright 2011-2012 Jens Timmerman # # This file is part of EasyBuild, # originally created by the HPC team of Ghent University (http://u...
JensTimmerman/easybuild-easyblocks
easybuild/easyblocks/n/netcdf.py
Python
gpl-2.0
4,802
[ "NetCDF" ]
594b1b0861b5f1cfb80bbd72759645312cc6ad6514dbb20a1f4d66dd170e5486
#coding: utf-8 # Hungarian Phrasebook, <https://www.youtube.com/watch?v=G6D1YI-41ao> # Use with Pythonista # The MIT License # # Copyright © 2014 Mia Sinno Smith and Steven Thomas Smith # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation f...
essandess/HungarianPhrasebook
HungarianPhrasebook.py
Python
mit
17,363
[ "Octopus" ]
58ef927670c37d943e75c38e898a8900ce2a128de8ab4d50814751fc895f361d
import numpy as np import scipy from .math import strictly_positify, positify, clip01 def psf(img, sx, sy=None, angle=0): """ Return a Gaussian PSF of the same size as img. img: image (reference for the output size) sx: sigma value for the long axis sy: sigma value for the short axis. If None take...
scholi/pySPM
pySPM/utils/restoration.py
Python
apache-2.0
6,930
[ "Gaussian" ]
01376e9632b70dc5b59ea602839df546353c36fb7fe44c209beaa53fc92acfec
#!/usr/bin/env python #pylint: disable=missing-docstring #################################################################################################### # DO NOT MODIFY THIS HEADER # # MOOSE - Multiphysics Object Oriented Simu...
Chuban/moose
python/MooseDocs/tests/bibtex/test_bibtex.py
Python
lgpl-2.1
4,046
[ "MOOSE" ]
3afc084f60d748efa6690e888e1335f421410460f01965d2fb5664b7b561439a
# # This file is part of postpic. # # postpic is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # postpic is distributed in the hope th...
skuschel/postpic
postpic/datareader/openPMDh5.py
Python
gpl-3.0
12,725
[ "VisIt" ]
fcaa1c55c154b40d576d220b701b99bd9cc991fe679ffffef91177a8b78bc69e
import inspect from functools import wraps from motherbrain import conf class Unauthorized(Exception): def __init__(self, entity_name, entity_value, detail=None): self.entity_name = entity_name self.entity_value = entity_value self.detail = detail def __str__(self): msg = 'A...
urlist/urlist
motherbrain/workers/decorators.py
Python
gpl-3.0
2,243
[ "MOE" ]
fec97d96a763629917dc4e7cb4ac9a87f032b05e388efc7c2268b75d48c383b2
from calendar import monthrange from itertools import product import multiprocessing import os import time import numpy as np import pandas as pd from scipy import spatial import xarray as xr from gsee.climatedata_interface.pre_gsee_processing import resample_for_gsee from gsee.climatedata_interface import util def...
renewables-ninja/gsee
gsee/climatedata_interface/interface.py
Python
bsd-3-clause
17,053
[ "NetCDF" ]
32e7e4d99447582dff10d576a6f9302b577d372f9bf3306a55f9b49b0bddfe5a
""" Python implementation of the fast ICA algorithms. Reference: Tables 8.3 and 8.4 page 196 in the book: Independent Component Analysis, by Hyvarinen et al. """ # Author: Pierre Lafaye de Micheaux, Stefan van der Walt, Gael Varoquaux, # Bertrand Thirion, Alexandre Gramfort # License: BSD 3 clause import num...
cdegroc/scikit-learn
sklearn/decomposition/fastica_.py
Python
bsd-3-clause
12,450
[ "Gaussian" ]
d009d763b9b5ec22e3dae1f30c778ef49bd1fae48670bf1a0f3634a339859c30
""" Spatial Error Models with regimes module """ __author__ = "Luc Anselin luc.anselin@asu.edu, Pedro V. Amaral pedro.amaral@asu.edu" import numpy as np import multiprocessing as mp import regimes as REGI import user_output as USER import summary_output as SUMMARY from pysal import lag_spatial from ols import BaseOLS...
spreg-git/pysal
pysal/spreg/error_sp_regimes.py
Python
bsd-3-clause
64,257
[ "COLUMBUS" ]
f47f1f3fc1957246cd8b38636dbff796b4f0a3cee3296102ee407f315fd85e57
from __future__ import division, unicode_literals import unittest import os import json import scipy from io import open from pymatgen.phonon.dos import CompletePhononDos from pymatgen.phonon.plotter import PhononDosPlotter, PhononBSPlotter, ThermoPlotter from pymatgen.phonon.bandstructure import PhononBandStructureS...
czhengsci/pymatgen
pymatgen/phonon/tests/test_plotter.py
Python
mit
3,708
[ "pymatgen" ]
1aa4c5d37525c26c10d4a28e3c93a1a4750eb5b2939b1739fd369f1885f44fe7
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2009 Benny Malengier # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) ...
Fedik/gramps
gramps/plugins/graph/graphplugins.gpr.py
Python
gpl-2.0
3,139
[ "Brian" ]
bddfb8324d8d5f2058294aa98aa195fc4e8e07180bc705f6800428d4a5b4cb32
# -*- coding: utf-8 -*- from lxml import etree from lxml import html import requests #doesn't work def main(): url = 'http://lispon.moe/cdn/activity/act161108/index.html?aUserId=1494366573' page = requests.get(url) tree = html.fromstring(page.content) print(page.content) xpath_selector = "//a/@hre...
umyuu/Sample
src/Python3/Q102431/exsample.py
Python
mit
478
[ "MOE" ]
6b06cfac3e6511c5937fa846fad95de1d83ed523485cb30d90de533f3dad582d
#!/bin/env python """ Illustrate how to combine a SMIRNOFF parameterized small molecule with an AMBER parameterized protein using ParmEd. """ # # Load and parameterize the small molecule # # Load the small molecule from openff.toolkit.utils import get_data_file_path ligand_filename = get_data_file_path('molecules/t...
open-forcefield-group/openforcefield
examples/deprecated/mixedFF_structure/generate_mixedFF_complex.py
Python
mit
2,220
[ "Amber", "CHARMM", "OpenMM" ]
a14b5069845aae1ee5c9e858cee047475db2f15bb0438bdac9c61dbc1e1c679a
#!/usr/bin/python # -*- coding: utf-8 -*- # # Copyright 2013 The Plaso Project Authors. # Please see the AUTHORS file for details on individual authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the L...
iwm911/plaso
plaso/formatters/firefox.py
Python
apache-2.0
4,092
[ "VisIt" ]
6b0e821657c9f2951052233a855fa346cb746abdf621b5afeec2efaf414d9c05
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-resource-manager
tests/unit/gapic/resourcemanager_v3/test_tag_keys.py
Python
apache-2.0
115,667
[ "Octopus" ]
3a60c2f2da1efb46c362677d7bb47679d82b73823bb61358f8a1118ff1f1d38a
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=80 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # -------------------------------------------------------...
marmyshev/transitions
resources/__init__.py
Python
gpl-2.0
2,272
[ "Brian" ]
2124b5facd659ad24c34345d1fabfb3703acac72789f792f4e4e55db65bea20d
import unittest from __main__ import vtk, qt, ctk, slicer import SimpleITK as sitk import sitkUtils # # LabelObjectStatistics # class LabelObjectStatistics: def __init__(self, parent): import string parent.title = "Label Object Statistics" parent.categories = ["Microscopy"] parent.contributors = ["B...
blowekamp/Slicer-IASEM
LabelObjectStatistics/LabelObjectStatistics.py
Python
apache-2.0
19,184
[ "VTK" ]
b99b33d197f55a8fc9d49f976990ad0c5902f851a11d6f79fd473d591722be52
from django import forms from django.contrib.localflavor.cz.forms import CZBirthNumberField from django.utils.translation import ugettext_lazy as _ from djcode.reservations.models import Examination_kind, Patient, Visit_reservation class Patient_form(forms.ModelForm): label_suffix = ":" class Meta: model = Patien...
mmincikova/medobs
djcode/reservations/forms.py
Python
gpl-3.0
1,292
[ "VisIt" ]
635d5f48b4da9e023d70d26c349a8abdff0dff76a8c21e827f66e9ea15822940
# This code is part of Ansible, but is an independent component. # This particular file snippet, and this file snippet only, is BSD licensed. # Modules you write using this snippet, which is embedded dynamically by Ansible # still belong to the author of the module, and may assign their own license # to the complete wo...
prakritish/ansible
lib/ansible/module_utils/basic.py
Python
gpl-3.0
100,223
[ "VisIt" ]
0de0f3299cf14c3716687614eb1ef904475ae6fbfc63a77f4ab337c0389f6497
# $Id$ # # Copyright (C) 2004-2006 Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # from rdkit import RDConfig from rdkit im...
soerendip42/rdkit
rdkit/Chem/ChemUtils/SDFToCSV.py
Python
bsd-3-clause
4,077
[ "RDKit" ]
81d4a1878fddab427da4a172049cb8882fe824bbf3f7acca98b4aafe2c2192fb
from __future__ import unicode_literals import re from .common import InfoExtractor from ..compat import ( compat_str, compat_HTTPError, ) from ..utils import ( ExtractorError, find_xpath_attr, lowercase_escape, smuggle_url, unescapeHTML, ) class NBCIE(InfoExtractor): _VALID_URL = r'...
Oteng/youtube-dl
youtube_dl/extractor/nbc.py
Python
unlicense
10,298
[ "Brian" ]
7209fad7effb1883c09d95e6dd8f6054a7fd346d8470349d69094544d13d53b4
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # eclipses.py # Waqas Bhatti and Luke Bouma - Feb 2017 # (wbhatti@astro.princeton.edu and luke@astro.princeton.edu) '''Light curve fitting routines for eclipsing binaries: - :py:func:`astrobase.lcfit.eclipses.gaussianeb_fit_magseries`: fit a double inverted gaussian ec...
lgbouma/astrobase
astrobase/lcfit/eclipses.py
Python
mit
17,004
[ "Gaussian" ]
7024c2d3f344a090e1fae27374830924347b228be6d376f8601d9841e700b08a
#!/usr/bin/env python #JSON {"lot": "RKS/6-31G(d)", #JSON "scf": "CDIISSCFSolver", #JSON "er": "cholesky", #JSON "difficulty": 7, #JSON "description": "Basic RKS DFT example with hybrid MGGA exhange-correlation functional (TPSS)"} import numpy as np from horton import * # pylint: disable=wildcard-import,unused-wi...
theochem/horton
data/examples/hf_dft/rks_water_hybmgga.py
Python
gpl-3.0
3,761
[ "Gaussian" ]
9adba042d7e460c70dd63bde21d0c0b492eb5c923cd71d174b61f64da268cc17
#!/usr/bin/env python from setuptools import setup, find_packages version = '0.1dev' print '''------------------------------ Installing RNAseq version {} ------------------------------ '''.format(version) setup( name='rnaseq', version=version, author='lx Gui', author_email='guilixuan@gmail.com', ...
bioShaun/OMrnaseq
setup.py
Python
gpl-3.0
1,031
[ "Biopython", "HTSeq" ]
3106d783ef72895961475ed9447b36edc48971bb3cdc7332b775936b8c5562ee
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of t...
kkreis/espressopp
src/interaction/LennardJonesGromacs.py
Python
gpl-3.0
9,198
[ "ESPResSo" ]
eff898a3d95c8386971a9608c87b24188c95ddc4f98b6b55136f8a584145110b
# Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appl...
gkc1000/pyscf
pyscf/tools/c60struct.py
Python
apache-2.0
3,727
[ "PySCF" ]
6beecba7e60d344837ce4aed5335628084c4bdca47cdb56b7afafc1b530b3847
import re import json import typing as t from dataclasses import dataclass from functools import partial from collections import OrderedDict from ..graph import Graph, Root, Node, Link, Option, Field, Nothing from ..graph import GraphVisitor, GraphTransformer from ..types import ( TypeRef, String, Sequenc...
vmagamedov/hiku
hiku/introspection/graphql.py
Python
bsd-3-clause
22,919
[ "VisIt" ]
5dfb7f5f2f7c869146e37e88241918c6e32eee99c34366f4ba3f97521bd23d07
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatib...
pli3/Openwebif
plugin/controllers/views/web/getaudiotracks.py
Python
gpl-2.0
6,042
[ "VisIt" ]
836752fb95eb42bb0914c9af21ed3b1a012b2b3d08875f57b7243d807d326bbd
import pytest import betterbib @pytest.mark.parametrize( "string,ref", [ ( "The Magnus expansion and some of its applications", "The {Magnus} expansion and some of its applications", ), ( "On generalized averaged Gaussian formulas, II", ...
nschloe/betterbib
tests/test_bibtex_title.py
Python
gpl-3.0
1,535
[ "Gaussian" ]
c0296b4ced3a6849f6db2a109cc84d031e243ff59fad42b7836ac89aa7c9cc83
# coding: utf-8 # # Machine Learning Engineer Nanodegree # ## Supervised Learning # ## Project: Finding Donors for *CharityML* # Welcome to the second project of the Machine Learning Engineer Nanodegree! In this notebook, some template code has already been provided for you, and it will be your job to implement the ...
leizhipeng/ml
finding_donors/finding_donors.py
Python
gpl-3.0
28,896
[ "Gaussian" ]
e151dcc5e97e0fa227b12b412939254ab7a83dd54774974734bbcf71d9392a5e
#!/usr/bin/env python """ Status of DIRAC components using runsvstat utility Example: $ dirac-status-component DIRAC Root Path = /vo/dirac/versions/Lyon-HEAD-1296215324 Name : Runit Uptime PID WorkloadManagement_PilotStatusAgent : Run 4029 169...
DIRACGrid/DIRAC
src/DIRAC/FrameworkSystem/scripts/dirac_status_component.py
Python
gpl-3.0
1,658
[ "DIRAC" ]
29b3584b21cb66e79534b05b14736797b305e60591d894e27b5dc61fab6521f4
"""Tools for managing evaluation contexts. """ from sympy.utilities.iterables import dict_merge from sympy.core.basic import PicklableWithSlots __known_options__ = set(['frac', 'gens', 'wrt', 'sort', 'order', 'domain', 'modulus', 'gaussian', 'extension', 'field', 'greedy', 'symmetric']) __global_options__ = [] ...
ichuang/sympy
sympy/polys/polycontext.py
Python
bsd-3-clause
1,887
[ "Gaussian" ]
572775101f63dda6e98a6250c509913fd022116b59aa922c1ed6dd23a34c7f93
""" Test courseware search """ import os import json import uuid from ..helpers import remove_file from ...pages.common.logout import LogoutPage from ...pages.studio.overview import CourseOutlinePage from ...pages.lms.courseware_search import CoursewareSearchPage from ...pages.lms.staff_view import StaffPage from ...f...
adoosii/edx-platform
common/test/acceptance/tests/lms/test_lms_cohorted_courseware_search.py
Python
agpl-3.0
14,005
[ "VisIt" ]
def31e25c0e12a2341aab74d216cf95442d9ed0e2e450c8f353d9a464142d9c4
""" sphinx.ext.apidoc ~~~~~~~~~~~~~~~~~ Parses a directory tree looking for Python modules and packages and creates ReST files appropriately to create code documentation with Sphinx. It also creates a modules index (named modules.<suffix>). This is derived from the "sphinx-autopackage" script...
lmregus/Portfolio
python/design_patterns/env/lib/python3.7/site-packages/sphinx/ext/apidoc.py
Python
mit
18,689
[ "VisIt" ]
1dab6220b857421526a7594b43faaf3c03ab8a5a3cd6c3539c067f09c9c283d6
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import re import csv import collections import itertools from io import open import math from six.moves import zip import warnings from monty.json import MSON...
johnson1228/pymatgen
pymatgen/analysis/phase_diagram.py
Python
mit
77,867
[ "pymatgen" ]
177883f020404416ac3f1748ab5470e189864c94159845a0767d77d73322c870
__author__ = 'brian' import sys my_paths = [ '/usr/local/pbs/default/python/lib/python2.5', '/usr/local/pbs/default/python/lib/python2.5/plat-linux2', '/usr/local/pbs/default/python/lib/python2.5/lib-tk', '/usr/local/pbs/default/python/lib/python2.5/lib-dynload', '/usr/local/pbs/default/python/lib/...
Karaage-Cluster/karaage-hacks
require_project.py
Python
gpl-3.0
1,951
[ "Brian" ]
b8cecef30db8e8695b6bab105cbe2a35f40ae4ad12d909e5bf59c99c161f9121
# Copyright (C) 2019 Brian McMaster # Copyright (C) 2019 Open Source Integrators # License AGPL-3.0 or later (http://www.gnu.org/licenses/agpl). from odoo.tests.common import TransactionCase class TestL10nUsForm1099(TransactionCase): def test_on_change_is_1099(self): """ Test that supplier i...
OCA/l10n-usa
l10n_us_form_1099/tests/test_l10n_us_form_1099.py
Python
agpl-3.0
811
[ "Brian" ]
49c7494c17be3868ab389a553ac5c5e44e7d28e00effc31e5e3fd2e696bb1cff
from __future__ import absolute_import, unicode_literals from django.test import TestCase from django.utils import six from .models import (Building, Child, Device, Port, Item, Country, Connection, ClientStatus, State, Client, SpecialClient, TUser, Person, Student, Organizer, Class, Enrollment) class Select...
waseem18/oh-mainline
vendor/packages/Django/tests/regressiontests/select_related_regress/tests.py
Python
agpl-3.0
6,599
[ "Brian" ]
0c61c11a4505fc96d94074c7db52ee43636f3ee06e85790a28c512dcc509d28f
"""pyMOOSE Python bindings of MOOSE simulator. References: ----------- - `Documentation https://moose.readthedocs.io/en/latest/` - `Development https://github.com/BhallaLab/moose-core` """ # Notes # ----- # Use these guidelines for docstring: https://numpydoc.readthedocs.io/en/latest/format.html import sys import...
BhallaLab/moose-core
python/moose/__init__.py
Python
gpl-3.0
23,812
[ "MOOSE", "NEURON" ]
22f265a4ea99da192b5df79f9f99fabc572e54856ca0e1a20f4d52d18accf397
#! /usr/bin/env python3 # -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless requi...
googleapis/python-kms
scripts/fixup_kms_v1_keywords.py
Python
apache-2.0
8,355
[ "VisIt" ]
4159793087504aff34959c2afed9e8ab7fcc66343d4453d8f32e959dbaadd117
#!/usr/bin/env python # -*- coding: utf-8 -*- # (c) 2012 Michal Kalewski <mkalewski at cs.put.poznan.pl> # # This file is a part of the Simple Network Simulator (sim2net) project. # USE, MODIFICATION, COPYING AND DISTRIBUTION OF THIS SOFTWARE IS SUBJECT TO # THE TERMS AND CONDITIONS OF THE MIT LICENSE. YOU SHOULD H...
mkalewski/sim2net
sim2net/speed/__init__.py
Python
mit
1,175
[ "VisIt" ]
5db82b400bb7f81c14cfd2be5f8c8ab7f5b384f2270460711712a14820a41656
######################################################################## # # (C) 2015, Brian Coca <bcoca@ansible.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation...
s-hertel/ansible
lib/ansible/galaxy/role.py
Python
gpl-3.0
17,649
[ "Brian", "Galaxy" ]
b54bd525015a6ba5b9e9db92e3d17adde7db9834f45eed13d9a2311fa188f7e1
# Generated from antlr4-python3-runtime-4.7.2/src/autogen/Grammar.g4 by ANTLR 4.7.2 from antlr4 import * if __name__ is not None and "." in __name__: from .GrammarParser import GrammarParser else: from GrammarParser import GrammarParser # This class defines a complete generic visitor for a parse tree produced ...
damorim/compilers-cin
2020_3/projeto2/GrammarCheckerVisitor.py
Python
mit
6,465
[ "VisIt" ]
23ecee7a205bba68d87700c4d8e923e6adb51fe70c6b548f69c2e77463ea987e
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # ...
kain88-de/mdanalysis
testsuite/MDAnalysisTests/core/test_segment.py
Python
gpl-2.0
2,949
[ "MDAnalysis" ]
44ef8ad2357f7e436a968688c0f897d9cbcb5632f12cbdf230936eef60d908ea
""" ================ Neuropop Example ================ A demonstration of Neuropop using simulated data """ ######################################################## import numpy as np import matplotlib.pyplot as plt from spykes.ml.neuropop import NeuroPop from spykes.utils import train_test_split ################...
codekansas/spykes
examples/plot_neuropop_simul_example.py
Python
mit
3,434
[ "NEURON" ]
19d6ca371847bd64a76ee9cf3d9dae6f16715df07b39eaea7ec7b9f6ed89172d
from __future__ import division import copy import numpy import random import re RUNNERS = [ ["Adam", "0:05:47", "M"], ["Ali", "0:06:38", "F"], ["Andrew", "0:06:55", "M"], ["Blonde Megan", "0:08:38", "F"], # ["Brian", "0:06:43", "M"], # ["Brian Tall", "0:06:24", "M"], # ["Collin", "0:06:14...
topher200/balanced-teams
balanced_teams.py
Python
mit
4,353
[ "Brian" ]
5fdc6dafb0601337fc225d826dd51594537293ce9153e98087c31ad435dfc672
# -*- coding: utf-8 -*- """Specifies static assets (CSS, JS) required by the CATMAID front-end. This module specifies all the static files that are required by the CATMAID front-end. The configuration is separated in libraries and CATMAID's own files: Libraries: To add a new library, add a new entry into the librari...
tomka/CATMAID
django/projects/mysite/pipelinefiles.py
Python
gpl-3.0
9,206
[ "Cytoscape" ]
6c474875998aa5b49296a4eee5a00dd669a5b984c3cdec4482b7ab918619b6e5
from ase.structure import molecule from gpaw import GPAW from gpaw import dscf from gpaw.test import equal # Ground state calculation calc = GPAW(mode='lcao', basis='dzp', nbands=8, h=0.2, xc='PBE', spinpol=True, convergence={'energy': 100, ...
robwarm/gpaw-symm
gpaw/test/dscf_lcao.py
Python
gpl-3.0
1,095
[ "ASE", "GPAW" ]
77346e218b24dc7e954f723a93bb44fbbdc7d46a3305ddf3c89e5470a64be9d0
""" :mod: GFAL2_GSIFTPStorage ================= .. module: python :synopsis: GSIFTP module based on the GFAL2_StorageBase class. """ # from DIRAC from DIRAC.Resources.Storage.GFAL2_StorageBase import GFAL2_StorageBase from DIRAC import gLogger from DIRAC.Core.Utilities.Pfn import pfnparse, pfnunparse cl...
Andrew-McNab-UK/DIRAC
Resources/Storage/GFAL2_GSIFTPStorage.py
Python
gpl-3.0
2,107
[ "DIRAC" ]
3343e8b44ea2a6c11381e3f582d6236ec5049549013788c57ea24075f1a8fd49
from ovito import * import sys sys.exit(2)
srinath-chakravarthy/ovito
tests/scripts/test_suite/system_exit.py
Python
gpl-3.0
43
[ "OVITO" ]
ebea722074486e35c9197c95b00a4e54da47fbbd0a10a4c1453d8d812006ff9c
#!/usr/bin/env python "Check binaries configuration" # # Copyright (C) 2012-2021 ABINIT Group (Yann Pouillon) # # This file is part of the ABINIT software package. For license information, # please see the COPYING file in the top-level directory of the ABINIT source # distribution. # from __future__ import unicode_lite...
abinit/abinit
abichecks/scripts/check-binaries-conf.py
Python
gpl-3.0
3,229
[ "ABINIT", "NetCDF", "Wannier90" ]
b90bb834904d8568fc7c042b1f626f645d4b02abebb0eb977b37e0d6160f3735
from contextlib import contextmanager from django.utils.crypto import get_random_string from ..ga_helpers import GaccoTestMixin, SUPER_USER_INFO from ...pages.biz.ga_contract import BizContractDetailPage, BizContractPage from ...pages.biz.ga_dashboard import DashboardPage from ...pages.biz.ga_invitation import BizInv...
nttks/edx-platform
common/test/acceptance/tests/biz/__init__.py
Python
agpl-3.0
8,798
[ "VisIt" ]
f32ce8d5f97112eb8a621f711a5dba680cdb880bdf7204a492dedc45752f5cae
# -*- coding: utf-8 -*- # # recording_demo.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the License,...
stinebuu/nest-simulator
pynest/examples/recording_demo.py
Python
gpl-2.0
2,234
[ "NEURON" ]
057c7271fa4f253260a1bf290aada572a531776ed2b840fea7a585f7970ef492
import os from Bio.Nexus import Nexus def check_taxa(matrices): '''Checks that nexus instances in a list [(name, instance)...] have the same taxa, provides useful error if not and returns None if everything matches From: http://biopython.org/wiki/Concatenate_nexus ''' first_taxa = m...
Tagliacollo/Phyloworks
py_scripts/conc_nexus_aln.py
Python
gpl-3.0
2,208
[ "Biopython" ]
c32c049c06a85980d81e9bac7d1245648bd65cc11097cdd2dc2e23da6161961d