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#!/usr/bin/env python """ This tests the ability to render GPU resident data in VTK. """ import sys import vtk from vtk.test import Testing from PistonTestCommon import * class TestRendering(Testing.vtkTest): def testRendering(self): global args renderer = vtk.vtkRenderer() renwin = vtk.vtkRenderWind...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Accelerators/Piston/Testing/Python/TestRendering.py
Python
gpl-3.0
1,290
[ "VTK" ]
ba36f1c8e8c780f897e573159a0d516571bd704ae496578fb40bad3885016c29
import numpy as np import ase from ase.parallel import paropen cfg_default_fields = np.array( [ 'positions', 'momenta', 'numbers', 'magmoms' ] ) def write_cfg(f, a): """Write atomic configuration to a CFG-file (native AtomEye format). See: http://mt.seas.upenn.edu/Archive/Graphics/A/ """ if isin...
alexei-matveev/ase-local
ase/io/cfg.py
Python
gpl-2.0
6,779
[ "ASE" ]
487cf3a2c13d5a6f011bc92d4ef9d3d3c2b0202c9e32652b07ac70ebdf7b68db
#!/usr/bin/env python """ Virtual Machine Command Line Interface. """ import pprint import getpass from DIRAC.Core.Base.CLI import CLI from DIRAC.Core.Security.Locations import getProxyLocation from DIRAC.Core.Utilities.PrettyPrint import printTable from DIRAC.Resources.Cloud.EndpointFactory import EndpointFactory f...
DIRACGrid/DIRAC
src/DIRAC/WorkloadManagementSystem/Client/VirtualMachineCLI.py
Python
gpl-3.0
7,834
[ "DIRAC" ]
89e76c34f873037e1a595fae4573b7ce697e205ae6d33d52c41fd13922ed1f6e
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, subprocess, sys, glob, string, optparse, subprocess import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','desc...
ludolphus/Nimbuslabel
build.py
Python
apache-2.0
8,764
[ "VisIt" ]
e8ecc51bb7e037ddaea95c7749bef8833f71500990b4d4af2f04e31a90c7006b
######################################################################## # $HeadURL $ # File: FTSAgent.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2013/05/31 10:00:13 ######################################################################## """ :mod: FTSAgent ============== .. module: FTSAgent :syno...
calancha/DIRAC
DataManagementSystem/Agent/FTSAgent.py
Python
gpl-3.0
46,590
[ "DIRAC" ]
567b980cbedd7cd52412c23e68fc2b2b82ec90558115b8b899f34f55ed390991
# a part of cropgui, a graphical front-end for lossless jpeg cropping # Copyright (C) 2009 Jeff Epler <jepler@unpythonic.net> # 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; eithe...
jepler/cropgui
cropgui_common.py
Python
gpl-2.0
17,507
[ "FLEUR" ]
7436506434548cb0149ba02d867e982365e533733c06e9993dee85ba68c0d336
# This file is part of Merlin. # Merlin is the Copyright (C)2008,2009,2010 of Robin K. Hansen, Elliot Rosemarine, Andreas Jacobsen. # Individual portions may be copyright by individual contributors, and # are included in this collective work with permission of the copyright # owners. # This program is free software; ...
d7415/merlin
Hooks/intel/intel.py
Python
gpl-2.0
5,362
[ "Galaxy" ]
5918db48bd54eb47d6c3974c12798d15ce9b4f9fba2be500edf6061abe80a018
# This file is part of JujuPy, a library for driving the Juju CLI. # Copyright 2013-2019 Canonical Ltd. # # This program is free software: you can redistribute it and/or modify it # under the terms of the Lesser GNU General Public License version 3, as # published by the Free Software Foundation. # # This program is di...
wallyworld/juju
acceptancetests/jujupy/k8s_provider/base.py
Python
agpl-3.0
9,694
[ "CDK" ]
a9309b298582da0aeaf95cec66eb9c0c8413ba8d12353c9c5930a13f5a007d0e
""" Copyright (C) 2004-2015 Pivotal Software, Inc. All rights reserved. This program and the accompanying materials are made available under the terms of the 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 ...
rvs/gpdb
src/test/tinc/tincrepo/mpp/models/regress/sql_related/regress_sql_perf/regress_sql_perf.py
Python
apache-2.0
3,960
[ "ORCA" ]
9fd2d8070750def118830adb74af32d2441fa2258316bca2e6d019b356351d52
# Copyright (C) 2015-2022: The University of Edinburgh # Authors: Craig Warren, Antonis Giannopoulos, and John Hartley # # This file is part of gprMax. # # gprMax 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 Sof...
gprMax/gprMax
tools/Paraview macros/gprMax_info.py
Python
gpl-3.0
11,239
[ "ParaView" ]
bd673b923569d2bd722dfc44a6e8702efdbcbdf0cd6cd0705fb4796ccffd969d
#!/usr/bin/env python3 import pysam import sys import random def main(f): with pysam.VariantFile(f) as vcf: print('''##CADD style randomly generated numbers for testing #Chrom Pos Ref Alt RawScore PHRED''') for record in vcf: for alt in record.alts: ...
gantzgraf/vape
test/utils/generate_cadd_data.py
Python
gpl-3.0
930
[ "pysam" ]
1bdf8bb0671c934b1c76839804fdcb6f5c21a1829da37b41decb7af1386cbdc5
# Lint as: python3 # Copyright 2019 Deepmind Technologies Limited. # # 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 ap...
deepmind/deepmind-research
iodine/modules/distributions.py
Python
apache-2.0
7,418
[ "Gaussian" ]
38173008a29e24ea19798954d774ae776311c8f1c23247faaf479312729d710a
""" SymGP - A symbolic algebra library for multivariate Gaussian and Gaussian process probabilistic models """ from .mvg import MVG from .superexpressions import * from .utils import utils from .kernels import *
jna29/SymGP
symgp/__init__.py
Python
mit
216
[ "Gaussian" ]
a21fcd7b510a7857b7de6e09409d5f80472e47b6ffc919720c23fc017cfbab04
# -*- coding: utf-8 -*- # # Copyright 2018 Ibai Roman # # This file is part of GPlib. # # GPlib 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 ...
ibaidev/gplib
setup.py
Python
gpl-3.0
1,841
[ "Gaussian" ]
71d7c231f475452ed475da963c371a1c4afeffe7cb9a11e9a9f00454b7a1819d
from ovito import * from ovito.io import * from ovito.modifiers import * import numpy node = import_file("../../files/NetCDF/sheared_aSi.nc") modifier = HistogramModifier() node.modifiers.append(modifier) print("Parameter defaults:") print(" bin_count: {}".format(modifier.bin_count)) modifier.bin_count = 50 print...
srinath-chakravarthy/ovito
tests/scripts/test_suite/histogram_modifier.py
Python
gpl-3.0
1,050
[ "NetCDF", "OVITO" ]
784c28072b9808e9aa1c2482c663dc8593cc465e2d48709d01c3d12ccf57eebd
""" Functions for extracting information from a repository registry file. """ from __future__ import absolute_import import os from collections import OrderedDict import sqlite3 import astropy.time __all__ = ['find_registry', 'get_visit_mjds', 'get_visits'] def find_registry(data_repo, registry_name='registry.sqlite3...
DarkEnergyScienceCollaboration/pserv
python/desc/pserv/registry_tools.py
Python
bsd-3-clause
2,529
[ "VisIt" ]
ef4396f9431b8e437014c9b3d4399f09fe984bb0d0e49b41f6ad54b2049c0ed5
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. #!/usr/bin/env python from __future__ import division, unicode_literals """ #TODO: Write module doc. """ __author__ = 'Shyue Ping Ong' __copyright__ = 'Copyright 2013, The Materials Virtual Lab' __version__ =...
migueldiascosta/pymatgen
pymatgen/io/smartio.py
Python
mit
580
[ "pymatgen" ]
78bcfd06384a25786c1af152a585935e5080adee541358fbc4d438e78beee69a
# # Licensed to the Apache Software Foundation (ASF) under one or more # contributor license agreements. See the NOTICE file distributed with # this work for additional information regarding copyright ownership. # The ASF licenses this file to You under the Apache License, Version 2.0 # (the "License"); you may not us...
mxm/incubator-beam
sdks/python/apache_beam/runners/portability/fn_api_runner.py
Python
apache-2.0
65,525
[ "VisIt" ]
b75debe6a83ca120e838db0c03d9724944c7b73e7a4c99cb4abf540a5011aa6b
#!/cluster/home2/mglerner/anaconda3/bin/python #!/usr/bin/env python ''' Set up ptraj input files to run a series of H-bond calculations. ''' import sys, os from optparse import OptionParser if __name__ == '__main__': usage = """%prog [options] This program sets up ptraj input files to perform a series of H-bon...
LernerLabs/PyPAT
drivers/setup_hbond_ptraj.py
Python
apache-2.0
13,851
[ "Amber" ]
009031da8b5af0a0c3d585df7c0db15c9dc7edf8ea6ccadaa62f16e41ce864c8
# Copyright (C) 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 versio...
fweik/espresso
testsuite/scripts/tutorials/test_electrokinetics.py
Python
gpl-3.0
2,546
[ "ESPResSo" ]
f4d6086b8f868b8879513fbd952cce844965c29eb5662d1121696ebc1a53b89e
#!/usr/bin/env python # coding: utf-8 # # Compute Backends Comparison Table # # This is an extended version of Table 2 from [Conroy et al. 2020](http://phoebe-project.org/publications/2020Conroy+) and provides an overview of the capabilities and features of the available backends **as implemented by the wrappers**. ...
phoebe-project/phoebe2-docs
development/examples/compute_comparison_table.py
Python
gpl-3.0
14,479
[ "Gaussian" ]
14c966bd70b75cbb6dcb6281de529fd162f27df8691bfb9a0b40afa9384fff0f
# -*- coding: utf-8 -*- # # mc_neuron.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, or #...
sdiazpier/nest-simulator
pynest/examples/mc_neuron.py
Python
gpl-2.0
7,424
[ "NEURON" ]
f3ed330c4d5ffa32dc8eaf453e5dbde7fd39b57975fa87502d67f370f0c28c02
from __future__ import print_function, division import functools import nose import numpy from scipy import interpolate sdf_bovy14= None #so we can set this up and then use in other tests sdft_bovy14= None #so we can set this up and then use in other tests, trailing # Decorator for expected failure def expected_failur...
followthesheep/galpy
nose/test_streamdf.py
Python
bsd-3-clause
67,512
[ "Gaussian" ]
85fa590bf11edd0b07fdab20a34da0cb3037a896f5beab62b2ac05604caad54e
""" This module contains generic generator functions for traversing tree (and DAG) structures. It is agnostic to the underlying data structure and implementation of the tree object. It does this through dependency injection of the tree's accessor functions: get_parents and get_children. The following depth-first tra...
edx-solutions/edx-platform
openedx/core/lib/graph_traversals.py
Python
agpl-3.0
12,941
[ "VisIt" ]
b29c8ba7d1dce0890a35f11a4de0c449f6816e39342d76da95bad82cf720bb96
import matplotlib.pyplot as plt from matplotlib import colors from matplotlib import patches import collections import matplotlib.cm as cm import pysal.viz.mapclassify as classify import numpy as np from ._viz_utils import _classifiers, format_legend """ Creating Maps with splot * Value-by-Alpha maps * Mapclassify wra...
lixun910/pysal
pysal/viz/splot/_viz_value_by_alpha_mpl.py
Python
bsd-3-clause
16,986
[ "COLUMBUS" ]
4411ed77964345dea605afb24e1914f7b77f4aaca68f7ca04b6e373ccd7b9089
#----------------------------------------------------------------------------- # Purpose: # # Adapted from NeuroTools # # Licence : GPLv2 #----------------------------------------------------------------------------- """ NeuroTools.stgen ================ A collection of tools for stochastic process generation. Class...
inincs/pyNCS
src/pyNCS/pyST/stgen.py
Python
gpl-2.0
32,908
[ "Gaussian" ]
5172305968696d2fac05a7339c1cab6ea3a93ce9ed0b3194136e8da0275f5478
""" Contains the base class for ball devices.""" # ball_device.py # Mission Pinball Framework # Written by Brian Madden & Gabe Knuth # Released under the MIT License. (See license info at the end of this file.) # Documentation and more info at http://missionpinball.com/mpf from collections import deque import time im...
qcapen/mpf
mpf/devices/ball_device.py
Python
mit
54,623
[ "Brian" ]
3ace602723c36d5c98ad34b12694c25f81d7f34181ecdcf9d2ef71d3b69937e9
""" This a nonuniform sampler with ANGIE sampling scheme. |br| The modules samples the given signals nonuniformly. |br| The sampling patterns are generated using ANGIE scheme. The used ANGIE patterns generator is described further in "Generation and Analysis of Constrained Random Sampling Patterns", available in arXi...
JacekPierzchlewski/RxCS
rxcs/acq/nonuniANGIE.py
Python
bsd-2-clause
25,398
[ "Gaussian" ]
60d0db68ccd3e41568b703ec704de20c94f523ae972ef0b8ea4f5c739ae022d2
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Created on Mon Jul 14 11:06:54 2014 @author: tg """ #%% from Bio import Restriction from Bio.Seq import Seq from Bio import SeqIO from Bio.SeqRecord import SeqRecord from Bio.Alphabet.IUPAC import IUPACAmbiguousDNA from BCBio import GFF from Bio.Alphabet import generi...
tgbio/RRBS
double_dig.py
Python
apache-2.0
27,564
[ "Biopython" ]
c083aa7f84413796d4e2b6dfc8add5516ac2737263d2ee756bb2fb1f4b21474c
#!/usr/bin/env python2 import argparse import sys import xml.sax class CLIElement(object): """Represents a <clielement> tag. option_identifier -- str with parameters (e.g. --param), empty if argument. is_list -- bool whether the element is a list. """ def __init__(self, option_identifier='', ma...
bestrauc/seqan
util/ctd2galaxy.py
Python
bsd-3-clause
7,324
[ "Galaxy" ]
08eb5801d457dbd2d0804e412d30c2331dae251828cd1ae3f41a26d110be7770
#!/usr/bin/env python # encoding: utf-8 from ast import literal_eval import codecs import io import pytest import networkx as nx from networkx.readwrite.gml import literal_stringizer, literal_destringizer import os import tempfile try: unicode except NameError: unicode = str try: unichr except NameError: ...
sserrot/champion_relationships
venv/Lib/site-packages/networkx/readwrite/tests/test_gml.py
Python
mit
15,892
[ "Cytoscape" ]
1fdb33e61ff191319f6d325ce70676a3af1fb53b52c0fdfc6f2d1767bea8bf0a
# -*- 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-compute
tests/unit/gapic/compute_v1/test_region_backend_services.py
Python
apache-2.0
149,814
[ "Octopus" ]
c050500397da4ca04e59fc100a37a8bd87fa12798b34f4fc357afd50fd113ca3
# coding: utf-8 from __future__ import unicode_literals, division, print_function import os import datetime from pymatgen.util.testing import PymatgenTest from pymatgen.io.abinit import events _test_dir = os.path.join(os.path.dirname(__file__), "..", "..", "..", "..", 'test_files', "abinit") ...
xhqu1981/pymatgen
pymatgen/io/abinit/tests/test_events.py
Python
mit
2,978
[ "ABINIT", "pymatgen" ]
c03a724c7ee1b1ff2bece3c4569f917d3ecbc87d6006cead9f86e4354ad79401
from dateutil.relativedelta import relativedelta from datetime import datetime, date from django.utils import timezone from edc_constants.constants import SCREENED from edc_registration.models import RegisteredSubject from edc_identifier.models import SubjectIdentifier from edc_constants.constants import FAILED_ELIGIB...
botswana-harvard/tshilo-dikotla
td_infant/tests/test_infant_arv_proph_form.py
Python
gpl-2.0
12,781
[ "VisIt" ]
e06619cf2a238d5b8d226b6cad90eedc594d951e2c388a0386b356579bc299af
# 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...
capoe/espressopp.soap
src/integrator/LBInitPopUniform.py
Python
gpl-3.0
2,387
[ "ESPResSo" ]
10720d378bff5be44c3911dcca079d9d9e32344770b3d66044bb6c8b27951c3f
#!/usr/bin/env python # Copyright 2015 The Kubernetes 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 License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appli...
tobiajo/kubernetes
hack/verify-flags-underscore.py
Python
apache-2.0
4,847
[ "VisIt" ]
793f33fb707b49f10f603e60735734fadcb0bacac82f1db4a5a710f196fe5d5e
# -*- coding: utf-8 -*- """ *************************************************************************** translate.py --------------------- Date : August 2012 Copyright : (C) 2012 by Victor Olaya Email : volayaf at gmail dot com *****************************...
SrNetoChan/QGIS
python/plugins/processing/algs/gdal/gdaladdo.py
Python
gpl-2.0
6,902
[ "Gaussian" ]
d8bde61dcb4d31c2e3db2df2e624f33aa95bc1f2f3f2f0ec688c0e8119186fbf
# 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...
KaiSzuttor/espresso
samples/espresso_logo.py
Python
gpl-3.0
6,174
[ "ESPResSo" ]
c7578d2f7b173e1f78988428575893ee9aa2ddbcf0667cf455c38ebfb186cf79
# -*- coding: utf-8 -*- # PEP8 asserts from copy import deepcopy import httplib as http import mock import time from nose.tools import * # noqa from modularodm.exceptions import ValidationValueError from tests.base import OsfTestCase, fake from tests.factories import ( UserFactory, NodeFactory, ProjectFactory,...
GageGaskins/osf.io
website/addons/wiki/tests/test_wiki.py
Python
apache-2.0
58,299
[ "VisIt" ]
f2d40ef60f3deff080d0ab52fc7e03c3f5af689a75f6be49b360b2e3a199e6ba
# ---------------------------------------------------------------------------- # 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. # --------------------------------------------...
anderspitman/scikit-bio
skbio/io/_warning.py
Python
bsd-3-clause
602
[ "scikit-bio" ]
6e8a561ec36bb624b711540f4f07d55bd6bc860d1ce89af4aa423de17000c630
#=============================================================================== # LICENSE XOT-Framework - CC BY-NC-ND #=============================================================================== # This work is licenced under the Creative Commons # Attribution-Non-Commercial-No Derivative Works 3.0 Unported Lic...
SMALLplayer/smallplayer-image-creator
storage/.xbmc/addons/net.rieter.xot.smallplayer/resources/libs/helpers/subtitlehelper.py
Python
gpl-2.0
11,356
[ "VisIt" ]
3986ba78bc94ff865955ca525869ba79410584d392dd947502a31d47f6e75fbe
# Copyright (C) 2017-2018 Michael Freitag, Shahin Amiriparian, Sergey Pugachevskiy, Nicholas Cummins, Björn Schuller # # This file is part of auDeep. # # auDeep 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,...
auDeep/auDeep
audeep/cli/import_data.py
Python
gpl-3.0
3,218
[ "NetCDF" ]
181f58211e7875dc0fc245ec9263f4945e7451a0ac440e73f465da900e8235b1
""" sendwithus - Python Client For more information, visit http://www.sendwithus.com """ import base64 import logging import json import requests from six import string_types import warnings from .encoder import SendwithusJSONEncoder from .version import version from .exceptions import APIError, AuthenticationError, ...
mefyl/sendwithus_python
sendwithus/__init__.py
Python
apache-2.0
21,845
[ "VisIt" ]
dfdf4b851091fe76f6eb5859d2c7b7935f18f8663e3b6449778209a76338d8f7
import os import os.path import shutil import sys import unittest from collections import OrderedDict from time import sleep from typing import Union, List, Optional from unittest import TestCase from cate.cli import main from cate.core.ds import DATA_STORE_POOL from cate.core.op import OP_REGISTRY from cate.core.type...
CCI-Tools/cate-core
tests/cli/test_main.py
Python
mit
29,864
[ "NetCDF" ]
294b22d87c3d7ea0621af6d0b5f5fea677d50f222ddcbb4cffd21f83798f34a3
# # Copyright Amazon.com, Inc. or its affiliates. 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. # A copy of the License is located at # # http://aws.amazon.com/apache2.0 # # or in the "license" file accompanyi...
colmmacc/s2n
tests/integration/s2n_test_constants.py
Python
apache-2.0
23,450
[ "Octopus" ]
9542266baf2e9b2ac4447cff91563f316c09b7fa2afce98bcdd059f7c06a002d
# # paws -- provision automated windows and services # Copyright (C) 2016 Red Hat, Inc. # # 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, or # (at your option) a...
rhpit/paws
tests/paws_ci_tests.py
Python
gpl-3.0
8,926
[ "Galaxy" ]
06b348dfb5d7ada2d76fe9ac9eaaf797a75b4c7a2b08c901881a53a275d1f820
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 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 #...
rmcgibbo/psi4public
psi4/driver/procrouting/mcscf/mcscf_solver.py
Python
lgpl-3.0
13,631
[ "Psi4" ]
cd762a26512794322c29e3e166c56714318097c33ec5945924359d018714b051
# coding: utf-8 """ Vericred API Vericred's API allows you to search for Health Plans that a specific doctor accepts. ## Getting Started Visit our [Developer Portal](https://developers.vericred.com) to create an account. Once you have created an account, you can create one Application for Production and an...
vericred/vericred-python
test/test_plan_deleted.py
Python
apache-2.0
9,997
[ "VisIt" ]
c9f64798761da8007fdab608a981f31b3d9d9354793c5551d5a88421f803d154
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under t...
MDAnalysis/mdanalysis
package/MDAnalysis/topology/LAMMPSParser.py
Python
gpl-2.0
19,664
[ "LAMMPS", "MDAnalysis" ]
4331ad1721732598e96930e851d0d73e524b15bc270100530484021658f1b3a1
# encoding: utf-8 # Copyright 2016 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # The number of lines will be reduced after 2018 update is complete and # the old stories are removed: https://crbug.com/878390. # pylint:...
endlessm/chromium-browser
tools/perf/page_sets/system_health/browsing_stories.py
Python
bsd-3-clause
58,617
[ "VisIt" ]
ac604abf9fd9244b5bf413afa7f54fd72839ab4ed2364467e85ca794c0ae891a
"""Functions to plot epochs data.""" # Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Denis Engemann <denis.engemann@gmail.com> # Martin Luessi <mluessi@nmr.mgh.harvard.edu> # Eric Larson <larson.eric.d@gmail.com> # Jaakko Leppakangas <jaeilepp@student.jyu.fi> # ...
kambysese/mne-python
mne/viz/epochs.py
Python
bsd-3-clause
43,008
[ "Gaussian" ]
6f112c182061e1cfdc5c5145c199ab48aea993e744961647f87ee0f55b445fe8
#!/usr/bin/env python # # Refine models with explicit-solvent MD simulations # # Daniel L. Parton <daniel.parton@choderalab.org> - 21 Mar 2014 # import MSMSeeder import MSMSeeder.refinement # ======== # Parse command-line arguments # ======== import argparse argparser = argparse.ArgumentParser(description='Conducts ...
danielparton/MSMSeeder
scripts/RefineExplicitMD.py
Python
gpl-2.0
1,444
[ "OpenMM" ]
5663a91994708a22a248d82f2c689be367cb6711ac6d1ba09f5c534dbaec350b
import time from _MultiNEAT import * #from concurrent.futures import ProcessPoolExecutor, as_completed import matplotlib.pyplot as plt from numpy import array, clip try: import cv2 import numpy as np cvnumpy_installed = True except: print ('Tip: install the OpenCV computer vision library (2.0+) with '...
jal278/multineatbranch
MultiNEAT.py
Python
lgpl-3.0
16,191
[ "NEURON" ]
dd5ea20038131713083e813d2166b70d3fe84e10f3cc9f05f18e3560699b21a1
import sys sys.path.insert(1, "../../../") import h2o import random def cv_carsGLM(ip,port): # read in the dataset and construct training set (and validation set) cars = h2o.import_file(path=h2o.locate("smalldata/junit/cars_20mpg.csv")) # choose the type model-building exercise (multinomial classificati...
mrgloom/h2o-3
h2o-py/tests/testdir_algos/glm/pyunit_cv_carsGLM.py
Python
apache-2.0
6,735
[ "Gaussian" ]
7335162f902e2831d88107fdfe55db3e535f67c20a4fa5d318f6f7c84b6bdb75
import pickle from io import BytesIO import numpy as np import scipy.sparse from sklearn.datasets import load_digits from sklearn.cross_validation import cross_val_score from sklearn.externals.six.moves import zip from sklearn.utils.testing import assert_almost_equal from sklearn.utils.testing import assert_array_equ...
ashhher3/scikit-learn
sklearn/tests/test_naive_bayes.py
Python
bsd-3-clause
12,828
[ "Gaussian" ]
8767c87bcddd9761fc75945f0866e1308a7fec209519078df7fee146ca0eab78
#!/usr/bin/env python # boards.txt python builder for esp8266/Arduino # Copyright (C) 2017 community # Permission is hereby granted, free of charge, to any person who buy it, # use it, break it, fix it, trash it, change it, mail - upgrade it, charge # it, point it, zoom it, press it, snap it, work it, quick - erase it...
Adam5Wu/Arduino
tools/boards.txt.py
Python
lgpl-2.1
60,734
[ "CRYSTAL", "ESPResSo" ]
6107ff59d418ddd71079329a095a2862d040da4eb64c0ad8331ac66dc6d0f31c
from __future__ import division, absolute_import, print_function import warnings import numpy as np from numpy.testing import ( assert_, assert_raises, assert_equal, assert_warns, assert_no_warnings, assert_array_equal, assert_array_almost_equal, suppress_warnings ) from numpy import ra...
Eric89GXL/numpy
numpy/random/tests/test_random.py
Python
bsd-3-clause
65,228
[ "Gaussian" ]
4806ab878e4d865fa3832af0c6e1636f17d7081f81441e5dfe568e6b415b22ad
# -*- coding: utf-8 -*- from __future__ import unicode_literals import datetime from django.core.exceptions import ImproperlyConfigured, ObjectDoesNotExist from django.test import TestCase, override_settings from django.test.client import RequestFactory from django.views.generic.base import View from django....
yephper/django
tests/generic_views/test_detail.py
Python
bsd-3-clause
9,227
[ "MOOSE" ]
5dcb9192dd99717e929e9152fa62286c610c5058e4ea26f05b685675b8970059
class Metrics(object): def __init__(self, master): self.master = master def get(self, since=None, until=None, trend=None): """general description Args: since (int): An optional Unix timestamp to restrict metrics to those created on or after this time. Formatting ...
meori/delighted-python
delighted/metrics.py
Python
mit
1,901
[ "VisIt" ]
aa08f876ac2753e6d62cbf9836e0155a10c0db62b47f334ecb4a124543151b05
# # Physics 1321: Computational Methods in Physics # University of Pittsburgh # by Brian R. D'Urso # # # load libraries # import math import numpy as np import scipy.optimize def initialize(shell, **kwargs): shell.interact(kwargs.copy()) clear(**kwargs) def clear(messages, plot, **kwargs): plot.cle...
LunarLanding/Pythics
pythics/examples/fitting.py
Python
gpl-3.0
2,432
[ "Brian" ]
2c81619b37208f70614fcc46afc10c86d1d3cc7d796b7ced655fa7f48c4f4ae1
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageRFFT(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.vtkI...
nagyistoce/devide
modules/vtk_basic/vtkImageRFFT.py
Python
bsd-3-clause
481
[ "VTK" ]
559dd623fc3523b0ce0e0aae565168c6a69b769290fe54991583f594fea6c1ed
""" Perform Levenberg-Marquardt least-squares minimization, based on MINPACK-1. AUTHORS The original version of this software, called LMFIT, was written in FORTRAN as part of the MINPACK-1 package by XXX. Craig Markwardt converted the FORTRAN code to IDL. The information for ...
keflavich/agpy
agpy/mpfit/mpfit.py
Python
mit
93,253
[ "Gaussian" ]
df7671844df0e941bfcf3339b962ee193d78ad6442cca14968ed8600e2a5f2be
""" The GA4GH data model. Defines all the methods required to translate data in existing formats into GA4GH protocol types. """ from __future__ import division from __future__ import print_function from __future__ import unicode_literals import glob import os import json import tempfile import shutil import atexit im...
shajoezhu/server
ga4gh/datamodel/__init__.py
Python
apache-2.0
5,990
[ "pysam" ]
5ba47605c108685ae1010cb0d1b034b8c9fdf720175a1924e3c627dbaf7227af
import os import pytest import trimesh import numpy as np from PIL import Image import vtk import pyvista def test_wrap_none(): # check against the "None" edge case assert pyvista.wrap(None) is None def test_wrap_pyvista_ndarray(sphere): pd = pyvista.wrap(sphere.points) assert isinstance(pd, pyvist...
akaszynski/vtkInterface
tests/test_helpers.py
Python
mit
1,542
[ "VTK" ]
ba92b77a19b8dea58163a75cedb5c19d1c4e3af7fac56cc58c899dd0c50db038
""" example pipelines for running RNA-seq experiments """ import yaml from bipy.utils import nested_lookup from functools import partial from bipy.pipeline import AbstractStage from bipy.toolbox.fastqc import FastQCStage class AbstractPipeline(object): def __init__(self, config_file): with open(config...
roryk/bipy
bipy/pipeline/rnaseq.py
Python
mit
1,066
[ "HTSeq" ]
bffaa9c48c12f8776ef7467afe73fbf1b2ee6aaf1effb016c3edc28f8a555eb7
#!/usr/bin/env python3 '''Routines for enumerating SMARTS expressions representing fragments of provided molecules''' import sys,argparse,collections import numpy as np from rdkit.Chem import AllChem as Chem def computepathsmarts(mol, size): if size <= 0: size = 7 # default to 7 atoms ret = set() for len...
dkoes/qsar-tools
createsmartsdescriptors.py
Python
apache-2.0
4,321
[ "RDKit" ]
fd82aa4cfa2f59b62aa5ded0c514a280799edc732a54f0a4506a4f2f03ca7103
from twisted.internet import reactor from octopus.runtime import * from octopus import runtime as r from octopus.sequence.util import Tick def fn1 (): print "d3 tick." def fn2 (): return log("d4 tick...") e = r._experiment d1 = Tick(sequence( log("d1 tick...") ), interval = 2) d2 = Tick(log("d2 tick"), interval...
rasata/octopus
examples/test_tick.py
Python
mit
632
[ "Octopus" ]
24afee76cdfedbba98e095e7c78c658e90be3f9bf4cab2e66f9a3d06b3fe363b
""" The guy that takes case of managing sockets """ __RCSID__ = "$Id$" import socket import select import os import hashlib import GSI from DIRAC.Core.Utilities.ReturnValues import S_ERROR, S_OK from DIRAC.Core.Utilities import Network from DIRAC.Core.DISET.private.Transports.SSL.SocketInfo import SocketInfo from D...
andresailer/DIRAC
Core/DISET/private/Transports/SSL/SocketInfoFactory.py
Python
gpl-3.0
6,812
[ "DIRAC" ]
5c6c81f36b7592b10d5fc62b8807a65c31c306e142b627a36169a84b391aa46d
""" End-to-end tests for the LMS Instructor Dashboard. """ import ddt from common.test.acceptance.fixtures.certificates import CertificateConfigFixture from common.test.acceptance.fixtures.course import CourseFixture from common.test.acceptance.pages.common.auto_auth import AutoAuthPage from common.test.acceptance.p...
edx/edx-platform
common/test/acceptance/tests/lms/test_lms_instructor_dashboard.py
Python
agpl-3.0
8,390
[ "VisIt" ]
182b1031eb3903b335281a2ce47b1943a4c0bc070b505f6ec0b6eb2adc32d0c2
########################################################################## # # MRC FGU Computational Genomics Group # # $Id$ # # Copyright (C) 2009 Andreas Heger # # 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 ...
CGATOxford/Optic
scripts/gpipe/setup.py
Python
mit
9,069
[ "BLAST" ]
6ad35f16d6bf823aed54e5924259aacea268830a6290d79b3dd0429b28f9a832
# -*- coding: utf-8 -*- from __future__ import absolute_import, division from warnings import warn from six import iteritems from itertools import product from multiprocessing import Pool import pandas as pd from optlang.interface import OPTIMAL from numpy import ( nan, abs, arange, dtype, empty, int32, linspace...
zakandrewking/cobrapy
cobra/flux_analysis/phenotype_phase_plane.py
Python
lgpl-2.1
23,273
[ "Mayavi" ]
ab5386b07d68b71a2004c87f3b4446dd34fb716b62f4164c9094f4d8f84421ad
# # @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/molparse/pubchem.py
Python
lgpl-3.0
7,591
[ "Psi4" ]
cd4d065f1a3bbb398f326ffe1ffc0176690d6b891761f2280e1d85ad63fb6c46
from __future__ import unicode_literals from .common import InfoExtractor class EngadgetIE(InfoExtractor): _VALID_URL = r'https?://www.engadget.com/video/(?P<id>\d+)' _TEST = { 'url': 'http://www.engadget.com/video/518153925/', 'md5': 'c6820d4828a5064447a4d9fc73f312c9', 'info_dict': ...
nandhp/youtube-dl
youtube_dl/extractor/engadget.py
Python
unlicense
612
[ "Galaxy" ]
0a1a027144ee70b82d533c8e0d732722b4aebeb7dda47e2c86e9d1709bac31eb
# SOURCE: https://github.com/txt/mase/blob/0bba5fc5b12bb85dc77c6128ceff721fb7aa31d2/src/a12.py """ ## Analysis of Experimental Data This page is about the non-parametric a12 test. It is also a chance for us to discuss a little statistical theory. ### Standard Header """ from __future__ import division import sys ...
rchakra3/generic-experiment-loop
optimizer/helpers/a12.py
Python
gpl-2.0
10,992
[ "Gaussian" ]
fb3fa613eef28699897b146c6f394aa082821b0c1d86bdcf35ee6950934aa049
# -*- coding: utf-8 -*- # Copyright (c) 2015-2022, Exa Analytics Development Team # Distributed under the terms of the Apache License 2.0 #""" #ADF NMR Output Editor ############################## #Editor class for parsing the NMR data from an ADF calculation #""" #from __future__ import absolute_import #from __future_...
exa-analytics/exatomic
exatomic/adf/nmr/output.py
Python
apache-2.0
6,417
[ "ADF" ]
24e6f7fcd5dbf66980f8b6dbf8b9f992bafda623076ab35fac2db4020ef3034d
"""Scraper for United States District Court for the District of Columbia CourtID: dcd Court Short Name: D.D.C. Author: V. David Zvenyach Date created: 2014-02-27 Substantially Revised: Brian W. Carver, 2014-03-28 """ from juriscraper.opinions.united_states_backscrapers.federal_district import dcd_2013 class Site(dcd_...
Andr3iC/juriscraper
opinions/united_states_backscrapers/federal_district/dcd_2012.py
Python
bsd-2-clause
540
[ "Brian" ]
b9b96345c5e8d2bdcf5171667d79bd78a25d73fdcf925d45f318e96b18208879
""" Commands for setting intensities and Ion Chamber gains """ import time def feedback_off(): """ Turn intensity feedback off """ caput('13IDA:efast_pitch_pid.FBON', 0) caput('13XRM:edb:use_fb', 0) caput('13IDA:efast_roll_pid.FBON', 0) #enddef def feedback_on(roll=True, pitch=True): """ ...
newville/microprobe_docs
doc/macros/intensity.py
Python
bsd-2-clause
11,925
[ "CRYSTAL" ]
b1d76d4a64e35ae605544ec3921fb571ccb20516fdba01bced690ec198088783
#!/usr/bin/python import numpy as np import scipy.special as spc import matplotlib.pyplot as plt ''' Taylor erf(x)/x C = 2/sqrt(pi) C + - x^2/3 + x^4/5 - x^6/21 + x^8/108 - x^10/660 + x^12/4680 - x^14/37800 + x^16/342720 - x^18/3447360 + x^20/38102400 - x^22/459043200 + x^24/5987520000 (Taylo...
ProkopHapala/SimpleSimulationEngine
cpp/sketches_SDL/Molecular/python/erf_approx.py
Python
mit
7,792
[ "Gaussian" ]
76de33a8c186d4f9be531e4f5081ba2ad5224c86031e1e0b4e5d186d5e56a80c
#!/usr/bin/env python from __future__ import print_function from dark.blast import BlastRecords from dark.blast.records import printBlastRecord if __name__ == '__main__': import sys if len(sys.argv) < 2: print('Usage: %s BLAST-hitfile...' % sys.argv[0], file=sys.stderr) else: blastRecord...
acorg/dark-matter
bin/print-blast-xml.py
Python
mit
517
[ "BLAST" ]
0ed95b071033af9a072311cc5dbe67b2f0d65352b450ef1107d293f3d9e98e69
#!/usr/bin/env python """Define a snf pipeline workflow in Python and create a makefile that will execute it""" import itertools import json import os from os.path import join class Makefile(object): def __init__(self, path): self._file = open(path, 'w') # keep track of product directories that...
snfactory/pipeline
workflow-test/makemake.py
Python
mit
3,731
[ "Gaussian" ]
a14f8fb2828a6323b582348222d48fff43c297292f0408a78f2168c98fe5923b
import time import numpy as nm import scipy.sparse as sp from sfepy.base.base import Struct, output, assert_ from meshio import MeshIO ## # 28.05.2007, c def make_point_cells( indx, dim ): conn = nm.zeros( (indx.shape[0], dim + 1), dtype = nm.int32 ) for ii in range( 0, dim + 1 ): conn[:,ii] = indx ...
olivierverdier/sfepy
sfepy/fem/mesh.py
Python
bsd-3-clause
21,617
[ "VTK" ]
e48640f0fa6ecd550a77c8a598f23ecf2fdff8fa409fff2a1af3ddc10fa92131
#!/usr/bin/python # # Open SoundControl for Python # Copyright (C) 2002 Daniel Holth, Clinton McChesney # # This library 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 2.1 of the Licen...
nuigroup/kivy
kivy/lib/osc/OSC.py
Python
lgpl-3.0
10,842
[ "VisIt" ]
ca2fccd5355aa445f7d55458940cc8298838a9fb28e302ad347995923ff5fa8f
import pysam import sys import os import math class VCFInfo(object): def __init__(self, vcf_filename): self.filename = vcf_filename self.fh = open(self.filename) def _get_header(self): """ return a list of the header lines for a VCF file. """ self....
poojavade/Genomics_Docker
Dockerfiles/gedlab-khmer-filter-abund/pymodules/python2.7/lib/python/gemini-0.10.0-py2.7.egg/gemini/vcf_info.py
Python
apache-2.0
1,637
[ "pysam" ]
9dac9bfbef6d012fe454a6aaa7851e83e6d80a2bca43290d65b1d22fbf52fa70
# Orca # # Copyright (C) 2010 Joanmarie Diggs # Copyright (C) 2011-2012 Igalia, S.L. # # Author: Joanmarie Diggs <jdiggs@igalia.com> # # This library 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; eith...
ruibarreira/linuxtrail
usr/lib/python3/dist-packages/orca/scripts/toolkits/WebKitGtk/structural_navigation.py
Python
gpl-3.0
3,567
[ "ORCA" ]
13d8fc43fe7a89e3bbe1ac88a526f6af3eb4eda916659f7aa5b8c142bf424822
"""Detect and handle peaks and troughs as well as threshold crossings in data arrays. ## Peak detection - `detect_peaks()`: detect peaks and troughs using a relative threshold. - `peak_width()`: compute width of each peak. - `peak_size_width()`: compute size and width of each peak. ## Threshold crossings - `thresho...
bendalab/thunderfish
thunderfish/eventdetection.py
Python
gpl-3.0
51,072
[ "Gaussian" ]
85b80401dfb90e111cf832c61f4e87711010abdf8a8887bf36a6277947d5c1e1
#!/usr/bin/env python """ Calculates the density of air baed upon the Ideal Gas Law and the Magnus Equation """ import argparse import numpy as np from scipy.io import netcdf import math import os def calculate_density(pressure, temperature, relative_humidity): Rl = 287.058 # R for luft (dry air), ...
pgierz/semic
netcdf_interface/echam6_calculate_air_density.py
Python
mit
1,919
[ "NetCDF" ]
2bc90b2e22794f4c2f876e1218cc76fbf338e8662aa7c662da9d181d6fe6e97f
#!/home/vossj/suncat/bin/python #above line selects special python interpreter which knows all the paths #SBATCH -p iric,normal,owners ################# #set a job name #SBATCH --job-name=H2_1 ################# #a file for job output, you can check job progress #SBATCH --output=myjob.out ################# # a file for ...
brohr/brohr.github.io
ASE/Transition_States/Gaseous_Molecules/N2/opt.py
Python
gpl-2.0
2,472
[ "ASE", "ESPResSo" ]
2e2a056aef036e62dd10354625fa18981953fb8ab9b594a63ba7deeea8273321
from __future__ import print_function, division import os,unittest,numpy as np from pyscf.nao.scf import scf class KnowValues(unittest.TestCase): def test_rescf(self): """ reSCF """ dname = os.path.dirname(os.path.abspath(__file__)) myhf = scf(label='water', cd=dname, verbosity=0, kmat_timing=0.0, ...
gkc1000/pyscf
pyscf/nao/test/test_0041_rescf_scf.py
Python
apache-2.0
1,395
[ "PySCF" ]
2b727b3c53dfaeea72d1174e60a99542798cda3adacbb76bc4b138583a9ee52d
#!/usr/bin/python """Test of line navigation.""" from macaroon.playback import * import utils sequence = MacroSequence() #sequence.append(WaitForDocLoad()) sequence.append(PauseAction(5000)) # Work around some new quirk in Gecko that causes this test to fail if # run via the test harness rather than manually. sequ...
chrys87/orca-beep
test/keystrokes/firefox/line_nav_wiki_down.py
Python
lgpl-2.1
43,149
[ "ORCA" ]
e930e8fa405076100e30649bd176d994fd72119d792d5443c3257080c2bba060
''' desisim.quicksurvey =================== Code for quickly simulating the survey results given a mock catalog and a list of tile epochs to observe. Directly depends on the following DESI products: * desitarget.mtl * :mod:`desisim.quickcat` * `fiberassign <https://github.com/desihub/fiberassign>`_ ''' from __futur...
desihub/desisim
py/desisim/quicksurvey.py
Python
bsd-3-clause
15,078
[ "Galaxy" ]
07e09b2e858a293551289c18ca438292211b5471d64c1a8c0f71a004cf2d9aaf
""" ResourceManagementDB: This module provides definition of the DB tables, and methods to access them. Written using sqlalchemy declarative_base For extending the ResourceStatusDB tables: 1) In the extended module, call: from DIRAC.ResourceStatusSystem.DB.ResourceManagementDB import rmsBase, ...
chaen/DIRAC
ResourceStatusSystem/DB/ResourceManagementDB.py
Python
gpl-3.0
18,505
[ "DIRAC" ]
603e2362082f2085eb774f660a738893971b5e8fb24a384f81d9ceea79b7048d
############################################################################## # Copyright (c) 2013-2018, 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...
EmreAtes/spack
var/spack/repos/builtin/packages/mefit/package.py
Python
lgpl-2.1
1,963
[ "HTSeq" ]
77bb46e658735beeb4d1fc811bc181bf8be103f5c146b07451768b15b05ee497
# Copyright 2004-2008 by Sebastian Bassi. # Copyright 2013 by Markus Piotrowski. # 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. """Calculate the melting temperature of nucleot...
Ambuj-UF/ConCat-1.0
src/Utils/Bio/SeqUtils/MeltingTemp.py
Python
gpl-2.0
43,072
[ "Biopython" ]
20bb6de8a5256640758c6a5229553740e50bf008ecd5f5b32e42262571295810
from DIRAC.Core.Workflow.Parameter import * from DIRAC.Core.Workflow.Module import * from DIRAC.Core.Workflow.Step import * from DIRAC.Core.Workflow.Workflow import * bodyTestApp = """class TestAppModule: def __init__(self): pass def initialize(self,name,version,parameters): print( 'Test appl...
DIRACGrid/DIRAC
src/DIRAC/Core/Workflow/test/ModulesSamples.py
Python
gpl-3.0
1,671
[ "DIRAC" ]
4dc4a64f6ec2556f066d62ef5f9fbe911ff45179279c6a69219f1d1709fab883
# 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/visualization_mmm2d.py
Python
gpl-3.0
2,678
[ "ESPResSo" ]
9b9f6581c76bd1e058fc111f99de3ac09a786c39a180272d1361044405ed45c9
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import numpy as np from fractions import Fraction try: from math import gcd except ImportError: from fractions import gcd from itertools import groupby...
gpetretto/pymatgen
pymatgen/transformations/advanced_transformations.py
Python
mit
47,870
[ "pymatgen" ]
04debf3978828bf7d6750254286046fbe879084e4813c5c6fab9169638c81b1c
"""Undocumented Module""" __all__ = ['unique', 'indent', 'nonRepeatingRandomList', 'writeFsmTree', 'StackTrace', 'traceFunctionCall', 'traceParentCall', 'printThisCall', 'tron', 'trace', 'troff', 'getClassLineage', 'pdir', '_pdir', '_is_variadic', '_has_keywordargs', '_varnames', '_getcode', 'Signature', 'doc', 'adju...
silly-wacky-3-town-toon/SOURCE-COD
toontown/toonbase/ToonPythonUtil.py
Python
apache-2.0
142,301
[ "Gaussian" ]
04261a89973a8ffaa33008ae4a33905bb5b0408e3a28c34c50679c5727b4ea33
# Copyright 2007 by Tiago Antao <tiagoantao@gmail.com>. 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. """Utility functions for working with FDist (DEPRECATED).""" from Bio.Po...
zjuchenyuan/BioWeb
Lib/Bio/PopGen/FDist/Utils.py
Python
mit
6,981
[ "Biopython" ]
8ca5e0816ea40164461296fb6439c6bebc76320806bb1754b7d9055e7839dc04
# This Source Code Form is subject to the terms of the Mozilla Public # License, v. 2.0. If a copy of the MPL was not distributed with this # file, You can obtain one at https://mozilla.org/MPL/2.0/. from hashlib import sha256 from abc import abstractmethod from pathlib import Path from numbers import Real import warni...
zerothi/sisl
toolbox/siesta/minimizer/_minimize.py
Python
mpl-2.0
13,374
[ "SIESTA" ]
f48e3269b1d75b1ed5f02027e7fe368bdfb29c3da063294848212206d38ac3e5
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides classes that define a chemical reaction. """ import logging import re from itertools import chain, combinations import numpy as np from monty.fractions import gcd_float from monty.json import MontyDe...
vorwerkc/pymatgen
pymatgen/analysis/reaction_calculator.py
Python
mit
17,423
[ "pymatgen" ]
918c0ea5d5da3d741805e9dd16cbbf2ca7b4e25f9617922c4bb8132d8067ccd6