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""" Module simplifying manipulation of XML described at http://libvirt.org/formatdomain.html """ import logging from avocado.utils import process from .. import xml_utils from .. import utils_misc from ..libvirt_xml import base, accessors, xcepts from ..libvirt_xml.devices import librarian class VMXMLDevices(list)...
vipmike007/avocado-vt
virttest/libvirt_xml/vm_xml.py
Python
gpl-2.0
84,164
[ "VisIt" ]
86bd6e6294253a6cd47fb2444a731f140faf9c38531a9d1c31c606f23180de63
#* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgpl-2.1.html from PyQt5 ...
nuclear-wizard/moose
python/peacock/ExodusViewer/plugins/BlockSelectorWidget.py
Python
lgpl-2.1
5,135
[ "MOOSE", "VTK" ]
e173a9b2fa36f600c43e49619a9ff151c28e3ed455fdc076d0f9d2fdbcd279f5
"""DIRAC Administrator API Class All administrative functionality is exposed through the DIRAC Admin API. Examples include site banning and unbanning, WMS proxy uploading etc. """ __RCSID__ = "$Id$" import os from DIRAC import gConfig, S_OK, S_ERROR from DIRAC.Core.Utilities.PromptUser import promptUser from DIRA...
andresailer/DIRAC
Interfaces/API/DiracAdmin.py
Python
gpl-3.0
31,519
[ "DIRAC" ]
0149cfa5fcd9553b1db629c570ed95fd5266d987c1fe75853b813a1ce08b65e4
# -*- coding: utf-8 -*- """ E2E tests for the LMS. """ from __future__ import absolute_import from textwrap import dedent from six.moves import range from common.test.acceptance.fixtures.course import CourseFixture, XBlockFixtureDesc from common.test.acceptance.pages.common.auto_auth import AutoAuthPage from common...
ESOedX/edx-platform
common/test/acceptance/tests/test_annotatable.py
Python
agpl-3.0
5,676
[ "VisIt" ]
fc87e1c8df1c09c76792c045f285dfba360a1225acd4835da0b1781950ac8058
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2018 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 #...
amjames/psi4
psi4/driver/qcdb/psivarrosetta.py
Python
lgpl-3.0
18,416
[ "Psi4" ]
aa6edca5a10059cdd10ea9d440c7d428bba2cb0adc623419de07dbad6b457daf
from __future__ import print_function from lasagne.layers import InputLayer as Input, DenseLayer as Dense, flatten as Flatten, DropoutLayer as Dropout, reshape as Reshape #from keras.layers import Input, Dense, Reshape, Flatten, Dropout, multiply, GaussianNoise from lasagne.layers import batch_norm as BatchNormalizati...
sofiane87/lasagne-GAN
bigan/bigan.py
Python
mit
12,651
[ "Gaussian" ]
6fa261c74cf0cd5dba5f5581402123cbd1498b6910ebdd2562667d67d002afe4
from module_base import ModuleBase from module_mixins import ScriptedConfigModuleMixin import module_utils import vtk class marchingCubes(ScriptedConfigModuleMixin, ModuleBase): def __init__(self, module_manager): # call parent constructor ModuleBase.__init__(self, module_manager) self....
chrisidefix/devide
modules/filters/marchingCubes.py
Python
bsd-3-clause
1,960
[ "VTK" ]
cd0b902cfd928639646b45469478f1b2782ba7faa0ae2d35301e0d578a72165a
#!/usr/bin/env python ## @package fill_missing # \brief This script solves the Laplace equation as a method of filling holes in map-plane data. # # \details The script is an implementation of the SOR method with Chebyshev # acceleration for the Laplace equation, as described in 'Numerical Recipes in # Fortran: the art...
talbrecht/pism_pik06
util/fill_missing.py
Python
gpl-3.0
13,695
[ "NetCDF" ]
ea4c31b951a6f8d0bad433eed84d3bf973b9d39980097144802eecb8c1ac3be2
#!/usr/bin/env python3 # # Script to sum cube files # by Patrick Melix # 2018/06/07 # # You can import the module and then call .main() or use it as a script from ase.io.cube import read_cube, write_cube import os, glob import numpy as np def main(inList,outFile, subtract=False): #if output exists mv to .bak i...
patrickmelix/Python4ChemistryTools
sumCube.py
Python
mit
1,546
[ "ASE" ]
fbacf4ee2b15c9332d6b52658acf4b1b19ef2da970e40c06a2a3d262ae6e2913
import getpass import logging import os import shutil import re import tempfile from git import Repo from packaging import version from kalliope.core.ConfigurationManager import SettingLoader from kalliope.core.ConfigurationManager.DnaLoader import DnaLoader from kalliope.core.Models import Neuron from kalliope.core....
kalliope-project/kalliope
kalliope/core/ResourcesManager.py
Python
gpl-3.0
16,320
[ "NEURON" ]
e1a06f957601cf066f49a1630b29af2c4ee32e61802f18a53da95940e504c9a3
# Enthought library imports. from traits.api import Instance from tvtk.api import tvtk # Local imports from mayavi.filters.filter_base import FilterBase from mayavi.core.pipeline_info import PipelineInfo ###################################################################### # `DataSetTriangleFilter` class. #########...
openearth/vtkanim
vtkanim/filters.py
Python
gpl-3.0
1,185
[ "Mayavi" ]
c20402df152b8cebef43df60dca328be66597d9af29a53ade881e6ba58c7cb35
# Copyright (C) 2003-2005 Peter J. Verveer # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are met: # # 1. Redistributions of source code must retain the above copyright # notice, this list of conditions and the following d...
tdsmith/celltool
celltool/numerics/ndimage/fourier.py
Python
gpl-2.0
7,162
[ "Gaussian" ]
516471cb6eca1b554f02e66d92b31663dc08c7fdecfba827d8d468d27e1fc229
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations import uuid class Migration(migrations.Migration): dependencies = [ ('visit', '0026_auto_20150614_1731'), ] operations = [ migrations.AddField( model_name='student', ...
koebbe/homeworks
visit/migrations/0027_student_key.py
Python
mit
429
[ "VisIt" ]
599b6b924b9a903aaf9e7be14dfcc74dcd7261ae7e846fc32df0229c4fa644d8
#! /usr/bin/env python # -*- coding: utf-8 -*- # # Copyright (c) 2009 Nicolas Rougier - INRIA - CORTEX Project # # 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 3 of the License...
rougier/dana
examples/dana-attention.py
Python
bsd-3-clause
4,123
[ "Gaussian", "NEURON" ]
8f179431d4047121d0aa7892339dd6932a25364821426ca2ffb61483318c3b3d
#!/usr/bin/env python #pylint: disable=missing-docstring ################################################################# # DO NOT MODIFY THIS HEADER # # MOOSE - Multiphysics Object Oriented Simulation Environment # # #...
liuwenf/moose
python/chigger/tests/graphs/dualx.py
Python
lgpl-2.1
1,458
[ "MOOSE" ]
75a82acb86ae546cc004c26e59368b4c5549a6b8f4f52bd9dc90365d5779bdc6
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Abinit Post Process Application author: Martin Alexandre last edited: May 2013 """ import sys,os,commands,threading import string, math, re #GUI import gui.graph as Graph import gui.md as MD import gui.gs as GS import gui.elasticConstant as ElasticConstant import g...
abinit/abinit
scripts/post_processing/appa/gui/main_frame.py
Python
gpl-3.0
11,557
[ "ABINIT", "NetCDF" ]
e4c514947c40107ef5757f01f9bebbf4acba64792a3f54cccf828431ec8ae6e0
# -*- coding: utf-8 -*- import datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Changing field 'EphysConceptMap.ref_text' db.alter_column('neuroelectro_ephysconceptmap', 're...
lessc0de/neuroelectro_org
neuroelectro/south_migrations/0065_auto__chg_field_ephysconceptmap_ref_text__chg_field_neuronephysdatamap.py
Python
gpl-2.0
31,524
[ "NEURON" ]
6ce9df38771e2f950ba1919870915c78e690d244375d7870750d033724e2b94b
""" A family of function objects for changing a set of weights over time. Learning functions come in two varieties: LearningFunction, and CFPLearningFunction. A LearningFunction (e.g. Hebbian) applies to one set of weights, typically from one ConnectionField. To apply learning to an entire CFProjection, a LearningFu...
ioam/topographica
topo/learningfn/__init__.py
Python
bsd-3-clause
5,701
[ "NEURON" ]
342bff04411ea078c55ee28d136b1f4524016f3a47f1c69a1a71761b557b3d7a
""" Acceptance tests for Studio's Setting pages """ import re import uuid from nose.plugins.attrib import attr from common.test.acceptance.tests.studio.base_studio_test import StudioCourseTest from common.test.acceptance.pages.lms.create_mode import ModeCreationPage from common.test.acceptance.pages.studio.settings_c...
louyihua/edx-platform
common/test/acceptance/tests/studio/test_studio_settings_certificates.py
Python
agpl-3.0
13,257
[ "VisIt" ]
6c74db3d1bc6d5f4bbc282e857fc10bd313b2f55d7115eb98522cb8e6411abb6
import numpy as np import random as rand import sys, os import copy import pickle #from mpi4py import MPI from pymatgen import Lattice, Structure, Element, PeriodicSite from pymatgen.io.vasp import Poscar, VaspInput from pymatgen.analysis.structure_matcher import StructureMatcher, FrameworkComparator from pymatgen.app...
skasamatsu/py_mc
examples/zro2_spch/model_setup.py
Python
gpl-3.0
10,497
[ "VASP", "pymatgen" ]
eb64286f507e2eeaa99884e83f46e16229cbf4b64ebc3373bd4375ca3b700026
import pysam import sys def Check_Parameters(arg,opts,min,max): if opts > max or opts < min: sys.exit('\nArgument %s : expected value in range %s - %s\n' % (arg,str(min),str(max))) def Check_SimpleRepeatList(arg,opts): if opts.SimpleRepeatList and not opts.SimpleRepeat: sys.exit('\nTo use %s please enable -S...
Matteodigg/iEVA
iEVA/iCheck.py
Python
mit
2,805
[ "pysam" ]
bb5dcdb2d420c7a3d9be75ba84805290ef074040e9d6b788ced5e5e389e0850f
# -*- coding: utf-8 -*- ## ## ## This file is part of CDS Indico. ## Copyright (C) 2002, 2003, 2004, 2005, 2006, 2007 CERN. ## ## CDS Indico 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 o...
pferreir/indico-backup
indico/MaKaC/plugins/Collaboration/WebEx/collaboration.py
Python
gpl-3.0
34,567
[ "VisIt" ]
ec1c9e65c6c232abb33ce3456af30dc1315f366656765fae8cb14c8481b175ab
# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import sys import os class Hdf(AutotoolsPackage): """HDF4 (also known as HDF) is a library and multi-object file...
iulian787/spack
var/spack/repos/builtin/packages/hdf/package.py
Python
lgpl-2.1
8,814
[ "NetCDF" ]
a938e63ea8c699897247c83b6221e889d69b4fbcc51b2b1a4ac1363469658c16
# # @file TestSpeciesType.py # @brief SpeciesType unit tests # # @author Akiya Jouraku (Python conversion) # @author Sarah Keating # # ====== WARNING ===== WARNING ===== WARNING ===== WARNING ===== WARNING ====== # # DO NOT EDIT THIS FILE. # # This file was generated automatically by converting the file locate...
TheCoSMoCompany/biopredyn
Prototype/src/libsbml-5.10.0/src/bindings/python/test/sbml/TestSpeciesType.py
Python
bsd-3-clause
4,416
[ "VisIt" ]
78a9d8a1775fc055c2323179efccee00703e28d9faff43b6cce0f300f116987a
# This code is so you can run the samples without installing the package import sys import os sys.path.insert(0, os.path.join(os.path.dirname(__file__), '..')) # testinfo = "f 10 0.033, s, f 20 0.033, s, f 30 0.033, s, f 30 0.033, s, q" tags = "particles, Meteor" import pyglet import summa from summa.director import ...
shackra/thomas-aquinas
tests/test_particle_meteor.py
Python
bsd-3-clause
911
[ "Galaxy" ]
92b5b2b1668fafa649915514c2f13936593b648a0b1d8bd6f0f62dd75570a77e
""" Author: Thomas G. Close (tclose@oist.jp) Copyright: 2012-2014 Thomas G. Close. License: This file is part of the "NineLine" package, which is released under the MIT Licence, see LICENSE for details. """ from __future__ import absolute_import from builtins import next from builtins import str from p...
tclose/PyPe9
pype9/simulate/common/network/base.py
Python
mit
42,258
[ "NEURON" ]
2dbf11f22ae29bd587caf465617e5fe300ae77400661189e4461fdaea193ca5b
import numpy as np from ase.atoms import Atom, Atoms from ase.parallel import paropen """Module to read and write atoms in PDB file format""" def read_pdb(fileobj, index=-1): """Read PDB files. The format is assumed to follow the description given in http://www.wwpdb.org/documentation/format32/sect9.h...
slabanja/ase
ase/io/pdb.py
Python
gpl-2.0
1,886
[ "ASE", "RasMol" ]
de256eb39fed87d2396f71f98ac8133061e110b8d0931ea16b634bfb0d7d78a9
#pylint: disable=missing-docstring #################################################################################################### # DO NOT MODIFY THIS HEADER # # MOOSE - Multiphysics Object Oriented Simulation Environment ...
Chuban/moose
python/MooseDocs/extensions/sqa.py
Python
lgpl-2.1
20,977
[ "MOOSE" ]
23ee6293d719399023bdb0c7ee642014054ae0cc5d8230dec403c8ab4cfe34cb
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """Tools and helper functions for abinit calculations""" from __future__ import unicode_literals, division, print_function import os import six import re import collections import shutil import operator import ...
johnson1228/pymatgen
pymatgen/io/abinit/utils.py
Python
mit
28,136
[ "ABINIT", "NetCDF", "pymatgen" ]
d87b6e25bd63e3f3e52a1821f91bf6e7d31b1ed71a67ebb47730a9419112f246
# Copyright (C) 2010-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo 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 v...
fweik/espresso
testsuite/python/lb_switch.py
Python
gpl-3.0
2,788
[ "ESPResSo" ]
4dc1f25d2e3f8c4bb672c0668a634c75d48c0d2110a11bbe6e3c95f660c08f95
# -*- coding: utf-8 -*- """ Spyder Editor This temporary script file is located here: /Users/htelg/.spyder2/.temp.py """ #ToDo #- ich denke nicht, dass wir neutral nehen muessen .. unserer laser is polarisiert ... #- indes of refraction at 405 nm for psl #- results plotten # Check using http://omlc.ogi.edu/calc/mie_...
lo-co/atm-py
build/lib/atmPy/for_removal/POPS/mie.py
Python
mit
51,426
[ "Gaussian" ]
8acbe5b3980f0e6c6a0afb354f9e1471657baa9c87b298bd55a63735e73e8ae5
# Copyright (C) 2010-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo 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 v...
hmenke/espresso
samples/immersed_boundary/addBending.py
Python
gpl-3.0
1,453
[ "ESPResSo" ]
732ade2ba03c309eddfc012acb21832436b3a518897d572f3728b48c72fc0568
# 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...
fedepad/espressopp
src/storage/DomainDecomposition.py
Python
gpl-3.0
3,834
[ "ESPResSo" ]
21c47313a8899e560e797dd7bedacf47d7bf401486ef854b0d0dcccc3eaea7c5
#!/usr/bin/env python # encoding: utf-8 ''' Generates a Slurm script for running blast against the probes on various fasta files @author: Andrew Robinson ''' import sys, argparse, os, subprocess import common def main(argv): '''''' parser = argparse.ArgumentParser(description='Generates a Slurm script fo...
molecularbiodiversity/carlaseq
src/carlaseq_make_blastprobes_job.py
Python
bsd-3-clause
2,718
[ "BLAST" ]
d6b2f7c498657ddbb1efec6f2fcccdc1a516196cb29f1c6e29fbd59c970a62a9
import os, sys, unittest import setup_path from lib.asmlib.linker import * from lib.asmlib.assembler import * from lib.asmlib.asm_common_types import * from lib.commonlib.utils import * from lib.commonlib.luz_defs import ( USER_MEMORY_START, USER_MEMORY_SIZE) # Initial offset IOF = 0x100000 op_call ...
8l/luz-cpu
luz_asm_sim/tests_unit/test_linker.py
Python
unlicense
16,362
[ "MOE" ]
f5ee96d4ab1052697572f0f0b4d94186afdaf93020e250964e06ddeeb08e7215
import logging from logging.config import fileConfig import os import re import sys import click import bripipetools config_path = os.path.join( os.path.dirname(os.path.realpath(__file__)), 'config' ) fileConfig(os.path.join(config_path, 'logging_config.ini'), disable_existing_loggers=False) logg...
BenaroyaResearch/bripipetools
bripipetools/__main__.py
Python
mit
20,134
[ "Galaxy" ]
85c24c13f88767efac6e0f5984e90cae190cf7062fe0f73fcad08df4ce9c75ae
''' Test_RSS_Command_VOBOXAvailabilityCommand ''' from __future__ import absolute_import from __future__ import division from __future__ import print_function import unittest import mock import DIRAC.ResourceStatusSystem.Command.VOBOXAvailabilityCommand as moduleTested from six.moves import reload_module __RCSID__ ...
yujikato/DIRAC
src/DIRAC/ResourceStatusSystem/Command/test/Test_RSS_Command_VOBOXAvailabilityCommand.py
Python
gpl-3.0
3,453
[ "DIRAC" ]
3053b39eeabe89dd411c6e70a629112138bde22390205b1897a19a34583adcc4
# -*- coding: utf-8 -*- """ E2E tests for the LMS. """ import time from .helpers import UniqueCourseTest from ..pages.studio.auto_auth import AutoAuthPage from ..pages.lms.courseware import CoursewarePage from ..pages.lms.matlab_problem import MatlabProblemPage from ..fixtures.course import CourseFixture, XBlockFixtur...
epam-mooc/edx-platform
common/test/acceptance/tests/test_matlab_problem.py
Python
agpl-3.0
4,435
[ "VisIt" ]
eb2294c6eb18c1a7c53a4b184693f51ab0503edb2d79608b5dd6559d77246a4a
#!/usr/bin/env python3 """ Template by pypi-mobans """ import os import sys import codecs import locale import platform from shutil import rmtree from setuptools import Command, setup, find_packages # Work around mbcs bug in distutils. # http://bugs.python.org/issue10945 # This work around is only if a project sup...
chfw/pyexcel-webio
setup.py
Python
bsd-3-clause
5,880
[ "VisIt" ]
25c7d8b1ce3f54ed85e582550ca0d29a3779f334d1696d38c09565270ce4e3f2
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
python/moosesqa/test/test_LogHelper.py
Python
lgpl-2.1
2,100
[ "MOOSE" ]
57598ce9d2f769e4ce04f78180d9daf30338badf97e99ca3cc252deaf0f6fd01
# Copyright 2014-2017 The ODL development group # # This file is part of ODL. # # ODL 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. #...
bgris/ODL_bgris
odl/operator/fn_ops.py
Python
gpl-3.0
17,124
[ "DIRAC" ]
68226792fb407753009552fcceb396502d561e5ec46077699e6361bb325c96aa
# coding: utf-8 # #### this script calculates similarity features, combines them with descriptor data and selects the best features with randomized Lasso # In[1]: import pandas as pd import numpy as np from __future__ import print_function from rdkit import Chem from rdkit.Chem import AllChem from rdkit import Dat...
dream-olfaction/olfaction-prediction
opc_python/hulab/feature_selection/feature_selection.py
Python
mit
3,903
[ "RDKit" ]
962900a8d7204d8d37f5678bc5cf24b8e657a4998cb21afa7af6916eb84e288f
# modified mexican hat wavelet test.py # spectral analysis for RADAR and WRF patterns # NO plotting - just saving the results: LOG-response spectra for each sigma and max-LOG response numerical spectra import os, shutil import time, datetime import pickle import numpy as np from scipy import signal, ndimage imp...
yaukwankiu/armor
tests/modifiedMexicanHatTest11.py
Python
cc0-1.0
7,225
[ "Gaussian" ]
3f2700dd3e4b0bbcb5688896e2fc20ccf6453e664072fdcfd28610a5dbf10c64
#!/usr/bin/python2 # $HeadURL$ # $Id$ __version__ = "1.0-svn" __appname__ = "Mirage" __license__ = """ Mirage, a fast GTK+ Image Viewer Copyright 2007 Scott Horowitz <stonecrest@gmail.com> Copyright 2010-2011 Fredric Johansson <fredric.miscmail@gmail.com> This file is part of Mirage. Mirage is free software; you can...
kennethryerson/mirage
mirage.py
Python
gpl-3.0
209,116
[ "FLEUR" ]
3dd76781d7a0a6bb596951586bb941c53e59343c236f13a8f0fe898fe40d492a
# -*- coding: utf-8 -*- """ This modules provides functions to calculate correlations between spike trains. :copyright: Copyright 2015-2016 by the Elephant team, see `doc/authors.rst`. :license: Modified BSD, see LICENSE.txt for details. """ from __future__ import division, print_function, unicode_literals import war...
alperyeg/elephant
elephant/spike_train_correlation.py
Python
bsd-3-clause
40,876
[ "DIRAC", "NEURON" ]
7fbe21f6c8aa9139a5310f7e90484aec75aa33a692e89580a9ecd8989458c6f7
# sql/visitors.py # Copyright (C) 2005-2012 the SQLAlchemy authors and contributors <see AUTHORS file> # # This module is part of SQLAlchemy and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """Visitor/traversal interface and library functions. SQLAlchemy schema and expressio...
SohKai/ChronoLogger
web/flask/lib/python2.7/site-packages/sqlalchemy/sql/visitors.py
Python
mit
9,433
[ "VisIt" ]
37f2b6f4bda42cb7be8f4e49855fcb7bed99c9801b777df8399551cd8e047c78
""" It is used to test client->db-> service. It requires the Monitoring service to be running and installed (so discoverable in the .cfg), and this monitoring service should be connecting to an ElasticSeach instance """ # pylint: disable=invalid-name,wrong-import-position import time import json from datetime impo...
DIRACGrid/DIRAC
tests/Integration/Monitoring/Test_MonitoringSystem.py
Python
gpl-3.0
8,449
[ "DIRAC" ]
aef151df8e489a2ce9379703826e99179341a6f453d24f847dd9f845d0307c86
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) import os from spack import * TUNE_VARIANTS = ( 'none', 'cp2k-lmax-4', 'cp2k-lmax-5', 'cp2k-lmax-6', ...
LLNL/spack
var/spack/repos/builtin/packages/libint/package.py
Python
lgpl-2.1
9,050
[ "CP2K", "Gaussian" ]
c4550ff152756176f0a22a2c275f74b43dd160d983e967937972de86658666bc
#!/usr/bin/env python import argparse import os import pickle import pandas import requests from Bio import Entrez, SeqIO from lxml import html, etree from tqdm import tqdm os.environ.setdefault('DJANGO_SETTINGS_MODULE', 'phageAPI.settings') import django django.setup() from util.acc import read_accession_file fro...
mbonsma/phageParser
populate.py
Python
mit
6,935
[ "BLAST" ]
10420b34a1ab1896e673b3ab6cc8d110f2c6065f1066a944f233ca6469d18cfe
from ionotomo import * import numpy as np import pylab as plt import h5py import cmocean import os import logging as log import gpflow as gp class RationalQuadratic(gp.kernels.Stationary): def __init__(self, input_dim=1, variance=1.0, alpha=1.0, lengthscales=None, active_dims=[0], ARD=False, alpha_prior=None):...
Joshuaalbert/IonoTomo
src/ionotomo/scripts/rvw_data_analysis/bayes_interp_program.py
Python
apache-2.0
21,813
[ "Gaussian" ]
9077588e160e09e6f253acc052224e7eecb672a1e79d7eca6e38a783b1291672
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Abinit Post Process Application author: Martin Alexandre last edited: April 2013 """ import sys,os from PyQt4 import Qt,QtGui,QtCore def main(): import gui.main_frame as mf # GUI app = QtGui.QApplication(sys.argv) ex = mf.MainFrame() try: s...
jmbeuken/abinit
scripts/post_processing/appa/appa.py
Python
gpl-3.0
869
[ "ABINIT" ]
9de73608312771feda2a464e452e82f486b614b10d5e89ba64bb728cd9d346e0
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 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 #...
lothian/psi4
psi4/driver/qcdb/qchem.py
Python
lgpl-3.0
18,398
[ "CFOUR", "Psi4", "Q-Chem" ]
8e391da0b73f9b3905ddb7d2fa3822f3d4bcf222d6f370a3c7a6ec5bad68a8e8
''' Zither pulls raw depths and alt freqs from BAM file(s) based on loci in an existing VCF; writes a new VCF to stdout. ''' ## Copyright 2014 Bioinformatics Core, University of Michigan ## ## Licensed under the Apache License, Version 2.0 (the "License"); ## you may not use this file except in compliance with t...
umich-brcf-bioinf/Zither
zither/zither.py
Python
apache-2.0
18,070
[ "pysam" ]
81fc6601c1f7acf2f40841f7f967d5adb811fb7bfb6a0ef49db255f5e4a3f303
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # fileio - wrappers to keep file I/O in a single replaceable module # Copyright (C) 2003-2015 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of t...
heromod/migrid
mig/shared/fileio.py
Python
gpl-2.0
16,783
[ "Brian" ]
bb4ce8809911583034249b9470a68ceab5e5b3b452d90476a194fba8a626e1a6
# Copyright 2003-2009 by Bartek Wilczynski. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Implementation of sequence motifs (PRIVATE). """ from Bio.Seq import Seq from Bio.S...
bryback/quickseq
genescript/Bio/Motif/_Motif.py
Python
mit
26,870
[ "Biopython" ]
9297b00ded6ba8290d06c82092f58af4ec8eafc3b5c1afbaf99188a141ff1f3f
#!/usr/bin/env python from __future__ import print_function import DIRAC from DIRAC.Core.Base import Script from DIRAC.FrameworkSystem.Client.ProxyManagerClient import gProxyManager from DIRAC.Core.Utilities import Time __RCSID__ = "$Id$" class Params(object): limited = False proxyPath = False proxyLifeTime ...
fstagni/DIRAC
FrameworkSystem/scripts/dirac-admin-users-with-proxy.py
Python
gpl-3.0
1,911
[ "DIRAC" ]
6d16afd6e7674365d8836ec52353d327155a2a8a5066a7304f5e5f91164bd0f4
""" A buffered iterator for big arrays. This module solves the problem of iterating over a big file-based array without having to read it into memory. The `Arrayterator` class wraps an array object, and when iterated it will return sub-arrays with at most a user-specified number of elements. """ from __future__ impor...
shoyer/numpy
numpy/lib/arrayterator.py
Python
bsd-3-clause
7,207
[ "NetCDF" ]
1535f0c33b39c733f1a546d9984dc9d0286381eb090fd4e2a8103f6c2234e522
#!/usr/bin/env python # -*- coding: utf-8 -*- ''' surface2vtk.py Generate VTK animations from a NetCDF database of surface wavefield created by AxiSEM3D (named axisem3d_surface.nc by the solver). Data are presented on an unstructured mesh. To see usage, type python surface2vtk.py -h ''' ################### PAR...
kuangdai/AxiSEM3D
python_tools/surface2vtk.py
Python
mit
15,530
[ "NetCDF", "ParaView", "VTK" ]
087df5d64c0483553cad38ef602b42d259727f89cb268812a28a748e07f4cc20
# -*- coding: utf-8 -*- """ Created on Wed Mar 16 08:47:13 2016 @author: GDM """ ##### Importing modules ##### import HTSeq import cPickle as pickle import pandas as pd import os from HaSAPPy.HaSAPPY_time import * ############################################################ class Gene...
gdiminin/HaSAPPy
HaSAPPy/GeneDefinition.py
Python
mit
10,305
[ "HTSeq" ]
166d1e62df3d64322b22663a122c9cb8663b11deffb40555f16ef56d15f266e6
# -*- coding: utf-8 -*- """ Plot mitoskel network in with various scalar values """ import sys import os import os.path as op import matplotlib.pyplot as plt import numpy as np import pandas as pd import scipy.stats as sp import seaborn as sns from mayavi import mlab from tvtk.api import tvtk from pipeline.make_network...
moosekaka/sweepython
tubule_het/visualize_real_random.py
Python
mit
5,330
[ "Mayavi", "VTK" ]
c63af94c37fac17a109ef4f5244cdf088eff76e2cef18a7d07e3652c7b03bf8a
from test import support from test.support import import_helper from test.support import threading_helper # Skip tests if _multiprocessing wasn't built. import_helper.import_module('_multiprocessing') from test.support import hashlib_helper from test.support.script_helper import assert_python_ok import contextlib im...
brython-dev/brython
www/src/Lib/test/test_concurrent_futures.py
Python
bsd-3-clause
54,157
[ "Brian" ]
191a73e402638f9626cabdf75addf9e2ff90306185edd460921b86ba57c0bfa1
# -*- coding: utf-8 -*- import datetime import re """This module will define/keep all static Xnova data models and basic classes """ class XNCoords: """ XNova universe coordinates data model can parse strings like "[galaxy:solarsystem:planet]" also holds exact target object type - planet, moon, or de...
minlexx/xnova_galaxy_parser
xnova/xn_data.py
Python
gpl-3.0
16,104
[ "CRYSTAL", "Galaxy" ]
4a389db4d335819717a0b326cfd5bd74a1f80aff2214d528051bed6e670e31bc
# from distutils.core import setup, Extension import os from setuptools import setup, Extension, find_packages here = os.path.abspath(os.path.dirname(__file__)) # Get the long description from the relevant file with open(os.path.join(here, 'README.rst')) as f: long_description = f.read() def get_version(string):...
gatoravi/svviz
setup.py
Python
mit
2,218
[ "pysam" ]
aa3561f8ee4129f06bb673b588f2f726d22ceb69d70f0860976c1bda01feda71
# # Copyright (c) 2015 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
tdruez/scancode-toolkit
tests/textcode/test_pdf.py
Python
apache-2.0
2,545
[ "VisIt" ]
35172d5050650ffa602ff60498ce02217947d14b9cb2bca6cc98d00913f0c420
# (C) British Crown Copyright 2010 - 2016, Met Office # # This file is part of Iris. # # Iris is free software: you can redistribute it and/or modify it under # the terms of the GNU Lesser General Public License as published by the # Free Software Foundation, either version 3 of the License, or # (at your option) any l...
SusanJL/iris
lib/iris/tests/test_analysis.py
Python
gpl-3.0
46,721
[ "NetCDF" ]
237067fc6045c5f07fe91803700d4d42cc3ce0845ade7ca5e98c519bdad0c3d4
from argparse import * from sys import * from os.path import * from paraview.simple import * from paraview.servermanager import * parser = ArgumentParser(description = 'Process the arguments') parser.add_argument('inputFile', help = 'Path to the input file (NetCDF compilant)') parser.add_argument('outputDir', help = 'P...
fercook/SciViz
Voxels/NETCDF_2_VTK_2_Blender/job/dem/paraview/NC2VTKDEM.py
Python
gpl-2.0
8,935
[ "NetCDF", "ParaView", "VTK" ]
f337e00c15b79b51372e43b3a4aec9a68bb11e298d34133b05fa0ec6855d1da5
"""Handle installation and updates of bcbio-nextgen, third party software and data. Enables automated installation tool and in-place updates to install additional data and software. """ import argparse import collections import contextlib import datetime import dateutil from distutils.version import LooseVersion impor...
hjanime/bcbio-nextgen
bcbio/install.py
Python
mit
30,685
[ "BWA", "Biopython", "Bowtie", "Galaxy", "pysam" ]
860267e3928403599e896b754ed9f53bfe684ebee0dd892d21f6ca8f631d2573
""" ################################################################################ # # SOAPpy - Cayce Ullman (cayce@actzero.com) # Brian Matthews (blm@actzero.com) # Gregory Warnes (Gregory.R.Warnes@Pfizer.com) # Christopher Blunck (blunck@gst.com) # ##########################...
jjdmol/LOFAR
LTA/LTAIngest/SOAPpy-0.12.0/SOAPpy/Client.py
Python
gpl-3.0
16,967
[ "Brian" ]
9aa30a4e2ea2da78e665ca9f2e85e5a5db1c1d0d26a39e2a063b36f216a7b634
from rdkit import RDConfig import os import unittest from rdkit import Chem from rdkit.Chem import ChemicalForceFields from rdkit.Chem import rdMolTransforms class TestCase(unittest.TestCase): def setUp(self) : self.molB = """butane RDKit 3D butane 17 16 0 0 0 0 0 0 0 0999 V2000 0.0000...
AlexanderSavelyev/rdkit
Code/ForceField/Wrap/testConstraints.py
Python
bsd-3-clause
9,931
[ "RDKit" ]
91e9ac46c210a06f9bfdb562bded56950e8f75d6c17e35fbafef4014fb7e6471
#!/usr/bin/env python3 # In many places, falling temperatures get a brief bump after sunset. # But when, and how much, and for how long? # This is an attempt to compare post-sunset temperature bumps # among different locations, using whatever data is available. # First, abstract fetching temperature as a function of ...
akkana/scripts
weather/evebump.py
Python
gpl-2.0
11,622
[ "NAMD" ]
aeb4e5a30f474d9a6a79fa9c7eb402fa45b4d94a6ec30890d39a01838b198cc1
# # VASP.py # # Interface to VASP (https://www.vasp.at) # # Copyright (c) 2014-2020 Terumasa Tadano # # This file is distributed under the terms of the MIT license. # Please see the file 'LICENCE.txt' in the root directory # or http://opensource.org/licenses/mit-license.php for information. # from __future__ import pri...
ttadano/alamode
tools/interface/VASP.py
Python
mit
21,133
[ "VASP" ]
b67f4c56ede0366af10a6f24a01951ee5c967396391fca410ee294039fe85e88
#!/usr/bin/env python ## ## Copyright 2016 SRI International ## See COPYING file distributed along with the package for the copyright and license terms. ## """ Baseline cases This script generates a list of all subject that have a valid baseline and follow-up visit. """ import os import pandas import redcap # Firs...
abonil91/ncanda-data-integration
scripts/reporting/baseline_y1_np_cases.py
Python
bsd-3-clause
1,314
[ "VisIt" ]
c89a7e733f05971b304a0a32391e43d8288a6efdd1b4d002146d678bb1af414c
# coding=utf-8 from __future__ import unicode_literals import json import pytz import time from datetime import datetime, date, timedelta from django.core.files.base import ContentFile from django.core.urlresolvers import reverse from django.conf import settings from django.utils import timezone from mock import patc...
reyrodrigues/EU-SMS
temba/contacts/tests.py
Python
agpl-3.0
161,357
[ "VisIt" ]
147eb9761b4e914540258f7c41bae2b8454952b9b3b78fe10725315693655b87
# decay learning rate test import tensorflow as tf # neural network for function approximation import gym # environment import numpy as np # matrix operation and math functions from gym import wrappers import gym_morph # customized environment for cart-pole import matplotlib.pyplot as plt import time for test_num in ...
GitYiheng/reinforcement_learning_test
test03_monte_carlo/t21_cartpole_dnn_local.py
Python
mit
7,348
[ "NEURON" ]
ba61ccde8269c25d2a3deba845c198ae272a0a244adb35a06684de9bf9ac1eaa
# -*- coding: utf-8 -*- from south.utils import datetime_utils as datetime from south.db import db from south.v2 import SchemaMigration from django.db import models class Migration(SchemaMigration): def forwards(self, orm): # Deleting field 'Visit.old_survey_sent' db.delete_column(u'clinics_visit...
myvoice-nigeria/myvoice
myvoice/clinics/migrations/0024_auto__del_field_visit_old_survey_sent.py
Python
bsd-2-clause
13,984
[ "VisIt" ]
803e341da59f70174ff9a3469cdabcae93edad7e2b30828cc9b7a9249bead1cb
############################################################################### # actionAngle: a Python module to calculate actions, angles, and frequencies # # class: actionAngleStaeckel # # Use Binney (2012; MNRAS 426, 1324)'s Staeckel approximation for # calculating the actions # # ...
jobovy/galpy
galpy/actionAngle/actionAngleStaeckel.py
Python
bsd-3-clause
47,912
[ "Gaussian" ]
4c452f42d088f91fe8d3414148b182a7c8d6714fbbc0224cbc0225a8e5595d45
#!/usr/bin/python # -*- coding: utf-8 -*- from flask import Blueprint, session, render_template, abort, request, jsonify import mysql.connector import secret from handlers.user import readUser from handlers.pet import findRelative, searchPets from handlers.moment import userMoments users_routes = Blueprint('users_rou...
byn9826/Thousand-Day
api/users.py
Python
bsd-3-clause
2,588
[ "VisIt" ]
e0d3e243fe3a513f6e34b74eeaadc82a9ad6b39187c338c70b12fd92111e248d
from module_base import ModuleBase from module_mixins import NoConfigModuleMixin import module_utils import vtk class transformVolumeData(NoConfigModuleMixin, ModuleBase): def __init__(self, module_manager): # initialise our base class ModuleBase.__init__(self, module_manager) self._imageR...
nagyistoce/devide
modules/filters/transformVolumeData.py
Python
bsd-3-clause
2,303
[ "VTK" ]
0c3a6f9acb60981269d2a5ae8a025cea7296217b6cfb1384c109bedfe3aa772d
import os.path as osp work_dir = "/home/salotz/Dropbox/devel/mastic/work/pi_stacking" ref_ring_path = osp.join(work_dir, "benzene_hex.pdb") from rdkit import Chem ref_ring_PDB_rdkit = Chem.MolFromPDBFile(ref_ring_path, removeHs=False, sanitize=False) from mastic.interfaces.rdkit import RDKitMoleculeWrapper ring_r...
salotz/mast
work/pi_stacking/make_ringring_systemtype_pkl.py
Python
mit
2,315
[ "RDKit" ]
300d491f007e3372b6dbcbeb59b1288df490a3ebd251f883ab85125aa1a93286
#!/usr/bin/env python # -*- coding: utf-8 -*- # TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry # and reaction kinetics. # Copyright (C) 2008-2012 Toon Verstraelen <Toon.Verstraelen@UGent.be>, An Ghysels # <An.Ghysels@UGent.be> and Matthias Vandichel <Matthias.Vandichel@UGent.be> # Center ...
molmod/tamkin
tamkin/examples/012_ethyl_ethene_scaling/reaction.py
Python
gpl-3.0
3,779
[ "Gaussian" ]
667426ee4eca8d6aa005e6c58fe7ba7681470235ef11c58b5981399229e13d54
# -*- coding: utf-8 -*- import numpy as np import scipy.integrate as sci import scipy.optimize as opt import time import tarfile import os import csv import montagn_classes as mc ######## Constants (USI) ######## b = 2.8977721e-3 #Wien's displacement cst h = 6.62606957e-34 c = 299792458 kB = 1.3806488e-23 sigma...
lukaltair/MontAGN_V2
montagn/montagn_utils.py
Python
gpl-3.0
29,334
[ "Gaussian" ]
5dfa1d5c13f66870f16a74e3f24b872c7a8fddddd83d4b146fd7ab286502f689
# -*- coding: utf-8 -*- # standard import array import copy # local import popeye # globals PIECES = 'KkQqRrBbSsPp' BLACK = False WHITE = True NOTATION = {'K':u'Кр', 'Q':u'Ф', 'R':u'Л', 'B':u'С', 'S':u'К', 'P':u'п'} NAME = 0 PREV = 1 NEXT = 2 ID = 3 # the main structure to store & manipulate the position class...
tectronics/olive-gui
legacy/chess.py
Python
gpl-3.0
42,642
[ "VisIt" ]
b41363b97ec6cde5c4cbae676d53fa37586660476c6c9d62879d9c786a98f78d
import logging import unittest import research_papers.logutils as logutils from research_papers.tools.crossref_resolver import CrossrefResolver __author__ = 'robodasha' __email__ = 'damirah@live.com' class TestCrossrefResolver(unittest.TestCase): def __init__(self, *args, **kwargs): super(TestCrossref...
robodasha/research_papers
tests/test_crossref_resolver.py
Python
mit
1,653
[ "Galaxy" ]
6090105784ae293dd8d46dfead47e7747a74e2900fbbdb43ce67bbc0929cb71c
# # Copyright (C) 2008 Greg Landrum # Copyright (C) 2009 Uwe Hoffmann # # @@ 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. # import array import math i...
bp-kelley/rdkit
rdkit/Chem/Draw/cairoCanvas.py
Python
bsd-3-clause
14,358
[ "RDKit" ]
c46e6cc55e9d527cdbac3920c8372ab376178be87158f5583ccebcec70c65c27
#! /usr/bin/env python # # The purpose of this script is to create a moltemplate lt file for the loplsaa. # forcefield. This will assist researchers in building complex simulations using # this LOPLS-UA and the LOPLS-AA forcefields. __author__="Jason Lambert" # (some additional corrections by Miguel Gonzalez and Andr...
JE1314/LAMMPS_builder
root/Auxiliary/loplsaa_moltemplateMETAL.py
Python
gpl-3.0
19,241
[ "Gromacs", "LAMMPS", "TINKER" ]
50cb00b1a80551b8d0ac21b0b97d1f6cf0bde9937313330502e535cc4e4c4a63
#!/usr/bin/env python """ soda.py Functions for dealing with the soda model for importation into ROMS Written by Brian Powell on 07/24/15 Copyright (c)2017 University of Hawaii under the MIT-License. """ import numpy as np from datetime import datetime import netCDF4 from seapy.lib import default_epoch, chu...
ocefpaf/seapy
seapy/model/soda.py
Python
mit
4,784
[ "Brian" ]
96b976c4dd92250ec08855578d830ebd3a2b59c0ca8f8190c753f9b32500d3db
#!/usr/bin/python """Test of line navigation output of Firefox.""" from macaroon.playback import * import utils sequence = MacroSequence() sequence.append(utils.StartRecordingAction()) sequence.append(KeyComboAction("<Control>Home")) sequence.append(utils.AssertPresentationAction( "1. Top of file", ["BRAILL...
pvagner/orca
test/keystrokes/firefox/line_nav_bug_577239.py
Python
lgpl-2.1
7,773
[ "ORCA" ]
e5ddb00ba878baf064cc28e772a7a17e95ee1c011080ac60dc2c4a04e986bba3
""" Distance matrices and distance-based statistics (:mod:`skbio.stats.distance`) ============================================================================= .. currentmodule:: skbio.stats.distance This subpackage provides functionality for serializing, deserializing, and manipulating dissimilarity and distance mat...
demis001/scikit-bio
skbio/stats/distance/__init__.py
Python
bsd-3-clause
5,775
[ "scikit-bio" ]
643123d339089b8ee7f511d03321be128ee343ba02ceda2e7e7ac42e56305cee
""" Test class for JobWrapper """ #pylint: disable=protected-access, missing-docstring, invalid-name, line-too-long # imports import unittest import importlib import os import shutil from mock import MagicMock, patch from DIRAC import gLogger from DIRAC.DataManagementSystem.Client.test.mock_DM import dm_mock from ...
hgiemza/DIRAC
WorkloadManagementSystem/JobWrapper/test/Test_JobWrapper.py
Python
gpl-3.0
4,436
[ "DIRAC" ]
d2ec5d3281214ed18428cc20b4f196d1eb9840cacad4b115b3074db0d56d55b1
# # gPrime - A web-based genealogy program # # Copyright (C) 2004-2007 Donald N. Allingham # Copyright (C) 2008,2011 Gary Burton # Copyright (C) 2010 Jakim Friant # Copyright (C) 2011-2012 Paul Franklin # Copyright (C) 2012 Brian G. Matherly # # This program is free software; you can redistribute it and/...
sam-m888/gprime
gprime/plug/report/_options.py
Python
gpl-2.0
38,042
[ "Brian" ]
4d5a3f627cfc9160523df8ccd49989074406ad8e2dd0f0f1074975c511773e32
#! /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-gke-hub
scripts/fixup_multiclusteringress_v1_keywords.py
Python
apache-2.0
5,937
[ "VisIt" ]
1517d3019758c8cab150c7ca34140b16ee340cc9c715922958ce4692e5af04dd
# -*- coding: utf-8 -*- # # brunel_exp_multisynapse_nest.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 o...
hakonsbm/nest-simulator
pynest/examples/brunel_exp_multisynapse_nest.py
Python
gpl-2.0
13,970
[ "NEURON" ]
a015fca375cb9c002f9a9d5188bdc9c8168a845f5569e697736781d18ea2d460
# -*- coding: utf-8 -*- import logging log = logging.getLogger(__name__) from enum import Enum import math import os from shutil import copy2 import re from subprocess import call import contextlib import logging log = logging.getLogger(__name__) import warnings import jinja2 import pandas as pd import numpy as np ...
m3wolf/scimap
scimap/fullprof_refinement.py
Python
gpl-3.0
33,866
[ "Gaussian" ]
285b9530797d1575bad5a76de0359fa4fd3d156a047a8bfa5db0447fa30bfe6b
""" A module that allows a user to create one of several standard VTK poly data sources. """ #Author: Suyog Dutt Jain <suyog.jain@aero.iitb.ac.in> # Prabhu Ramachandran <prabhu_r@users.sf.net> # Copyright (c) 2008, Enthought, Inc. # License: BSD Style. # Enthought library imports. from traits.api import Insta...
dmsurti/mayavi
mayavi/sources/builtin_surface.py
Python
bsd-3-clause
4,497
[ "Mayavi", "VTK" ]
ecd454cad3bf130de5d5649debb1b9125a15f67b9ad032c7f73c79bc1af9d153
#!/usr/bin/env python # -*- coding: utf-8 -*- #================================================# #| |# #| Minimum-energy two dimensional torsion scans |# #| Lee-Ping Wang, October 2013 |# #| |# #| This script la...
hainm/open-forcefield-group
qm/crank/crank.py
Python
gpl-2.0
53,936
[ "Psi4", "Q-Chem", "TINKER" ]
96309bb212245a8beffeb63e8d8a9cf05a1aecfe37e5f5ed47610635dad38a4e
#!/usr/bin/python # Copyright (C) 2012,2013 The ESPResSo project # Copyright (C) 2011 Olaf Lenz # Copyright 2008 Marcus D. Hanwell <marcus@cryos.org> # # 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 Founda...
roehm/espresso_cpp
maintainer/git2changelog.py
Python
gpl-3.0
4,681
[ "ESPResSo" ]
8e277f56f1ac938c9af64c2dc6707605f46ae31e59025ef27fec4e0fc28fe304
#!/usr/bin/python3 # -*- coding: utf-8 -*- '''Pychemqt, Chemical Engineering Process simulator Copyright (C) 2009-2017, Juan José Gómez Romera <jjgomera@gmail.com> 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 Softwar...
jjgomera/pychemqt
lib/mEoS/EthyOxide.py
Python
gpl-3.0
9,459
[ "Jmol" ]
8c5ec1850eac3d602352d5d84d4d506dc47cb245e24725c7ab9af8712f5b9fef
# -*- coding: utf-8 -*- # Form implementation generated from reading ui file 'qt_designer.ui' # # Created: Wed Jun 11 11:38:09 2014 # by: PyQt4 UI code generator 4.9.5 # # WARNING! All changes made in this file will be lost! from PyQt4 import QtCore, QtGui try: _fromUtf8 = QtCore.QString.fromUtf8 except Att...
AbeJones/obspyck-binaries
qt_designer.py
Python
gpl-2.0
60,885
[ "BLAST" ]
295bb147c0b680b9d79c4583f7950dd245af003e61a9c7fc2f361c338a8f2fbf
# -*- coding: UTF-8 -*- __revision__ = '$Id$' # Copyright (c) 2005-2012 Vasco Nunes, Piotr Ozarowski # # 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, orprint ...
marcin1j/griffith
lib/plugins/movie/PluginMovieAllocine.py
Python
gpl-2.0
13,314
[ "Brian" ]
68345e08b560464ff03d62d72fce2109ff89ed9b1a718c968cd2d0efd4632620
# -*- coding: utf-8 -*- # # MDTraj documentation build configuration file, created by # sphinx-quickstart on Tue Jun 11 21:23:28 2013. # # This file is execfile()d with the current directory set to its containing dir. # # Note that not all possible configuration values are present in this # autogenerated file. # # All ...
marscher/mdtraj
docs/conf.py
Python
lgpl-2.1
8,953
[ "MDTraj" ]
36daedad092f1e1605e47bb8714e1d55087d70e6289eaea1ba97fa96302f30e1