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# met.py # HYSPLITm - HYSPLIT Manager # The HYSPLIT model is maintained by the NOAA Air Resources Lab. Users of this # program should properly credit and reference NOAA ARL. # For more information please visit: # http://www.arl.noaa.gov/HYSPLIT_info.php # http://www.arl.noaa.gov/disclaimer.php # See th...
samatwood/HYSPLITm
met.py
Python
mit
842
[ "VisIt" ]
3d7cf9f96f621339b308c0d699a93771c9b8fb788b9673e2bf741354d969f9d0
# ***** BEGIN LICENSE BLOCK ***** # Version: MPL 1.1/GPL 2.0/LGPL 2.1 # # The contents of this file are subject to the Mozilla Public License Version # 1.1 (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.mozilla.org/MPL/ # # Softwa...
centrumholdings/buildbot
buildbot/db/schema/v1.py
Python
gpl-2.0
13,680
[ "Brian" ]
3f387480288f649388e99c6f95860946a42d6832a94f898e615d55e98ac3b8a7
#!/usr/bin/env python # Mesher # Copyright (C) 2017 Christopher Marsh # 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) any later version. ...
Chrismarsh/mesher
mesher.py
Python
gpl-3.0
59,549
[ "VTK" ]
b10b04df74a2c5dd488fff132113f1fa89c24ed1da5d1a9327ed8911b237d265
# 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 u...
eric-haibin-lin/mxnet
python/mxnet/symbol/numpy_extension/random.py
Python
apache-2.0
10,479
[ "Gaussian" ]
d25eeee95487d85098cc08e42c9943f06e9ddfffb35cf392fa191dd85ad0568c
import re import json import time import logging import itertools from ndex2.nice_cx_network import NiceCXNetwork from collections import OrderedDict from indra.statements import * from indra.databases import context_client, ndex_client from indra.databases.identifiers import get_identifiers_url, url_prefixes logger ...
sorgerlab/belpy
indra/assemblers/cx/assembler.py
Python
mit
27,828
[ "Cytoscape" ]
9b1a64f085e3bc0bea9fed68c0eb5a51b0f9b204fca655327af2beb457674928
#!/usr/bin/env python # -*- coding: utf-8 -*- # ----------------------------------------------------------------------------- # Copyright (c) 2010-2014, Georgios Is. Detorakis (gdetor@gmail.com) # Nicolas P. Rougier (nicolas.rougier@inria.fr) # All rights reserved. # # Redistribution and use in...
gdetor/SITopMaps
src/DNF-2D-REF-Response.py
Python
gpl-3.0
5,881
[ "Gaussian" ]
8b65b915649b348222dfbd3b0e5123d5a40d2b1196a7958be8b6d83f01e74c31
# # Copyright 2017 Russell Smiley # # This file is part of timetools. # # timetools 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. # #...
blueskyjunkie/timeTools
timetools/synchronization/analysis/tests/testTdev.py
Python
gpl-3.0
9,992
[ "Gaussian" ]
df7fefcccb3f80fcf793a51069d9e628eb2992faaa372df47e7bec8ed419979b
#!/usr/bin/env python # -*- coding: utf-8 -*- ## Copyright 2015 Rasmus Scholer Sorensen, rasmusscholer@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 Software Foundation, either version ...
scholer/na_strand_model
bin/sim_stats_plotting.py
Python
gpl-3.0
35,499
[ "Gaussian" ]
864ec60ecd92b97c5286abe9be3cc891bb170d3c5cbef081ae6810640f523aeb
#!/usr/bin/python import statsmodels.formula.api as sm import pandas as pd import numpy as np def df_impute_values_ols(adf,outvar,model, verbose=True): """Specify a Pandas DataFrame with some null (eg. np.nan) values in column <outvar>. Specify a string model (in statsmodels format, which is like R) to use to...
cpbl/cpblUtilities
stats.py
Python
gpl-3.0
2,784
[ "ADF" ]
6ad14996101e909b0625fcbeabe8b6ea0d0c41e068c9e80d06bfc38d29bb2ee5
__author__ = 'Shin' """ This is Django unit test example code. Django unit test run with command, "manage.py test target_app_name" if you want test all app, let target_app_name blank "manage.py test" and then coverage run, report with command, "python -m coverage run --source='.' manage.py test ta...
ShinJJang/django-unit-test-example
test_Exam.py
Python
gpl-2.0
3,803
[ "VisIt" ]
51c5c7cb75fbe049056cd9227aa8de94b9b83e96170ada76858cbbb572fdcd47
import calendar import datetime import hashlib import itertools import json import logging import os import random import re import types import uuid from collections import Counter, OrderedDict, defaultdict, namedtuple from copy import deepcopy from distutils.version import LooseVersion from functools import wraps fro...
dimagi/commcare-hq
corehq/apps/app_manager/models.py
Python
bsd-3-clause
234,253
[ "VisIt" ]
a2ff518099d4e66a7b9876b0ea601ebb695780d280bd1a3ca71ee92f11f4bc9e
#!/usr/bin/env python # -*- coding: utf-8 -*- # Find stop codons and longuest ORF from blastx results __authors__ = "Eric Normandeau" __program_name__ = "stop_codons_find" __version_info__ = ('0', '0', '1') __version__ = '.'.join(__version_info__) __revision_date__ = "2011-01-14" # Importing modules import os import ...
wkh124/wkh124
stop_codons_find.py
Python
gpl-3.0
7,639
[ "Biopython" ]
80a6adfdb944964cd295d4e5673f3573b0e64d9660eabd7cc5e1662896e89f10
# # @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/procrouting/findif_response_utils/db_helper.py
Python
lgpl-3.0
6,347
[ "Psi4" ]
3004c32fb39c5f46e82040df1a9f6c24b09fce09ee92d4858221c3cdd35077f1
#!/usr/bin/env python import sys import os import math # ensure that the kicad-footprint-generator directory is available #sys.path.append(os.environ.get('KIFOOTPRINTGENERATOR')) # enable package import from parent directory #sys.path.append("D:\hardware\KiCAD\kicad-footprint-generator") # enable package im...
pointhi/kicad-footprint-generator
scripts/Crystals_Resonators_SMD/make_crystal_smd.py
Python
gpl-3.0
34,432
[ "CRYSTAL" ]
b2f70e32f93e30279cc4653ee06edea689effba7494f35dfc556f8cbb24f27b9
# Copyright (c) 2013, GlaxoSmithKline Research & Development Ltd. # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are # met: # # * Redistributions of source code must retain the above copyright # ...
rvianello/rdkit
Contrib/fraggle/fraggle.py
Python
bsd-3-clause
2,674
[ "RDKit" ]
e7639ce9f742a842d672dac671dd67bf4ef1bb1e99ac5ac19a138c512a0d3162
""" test """ import unittest import types import importlib from DIRAC import S_OK from mock import MagicMock from DIRAC.RequestManagementSystem.Client.Request import Request from DIRAC.TransformationSystem.Client.TaskManager import TaskBase, WorkflowTasks, RequestTasks from DIRAC.Transformati...
coberger/DIRAC
TransformationSystem/Client/test/test_Client.py
Python
gpl-3.0
20,376
[ "DIRAC" ]
29633bea80e41ab4c2cbfc3fa14005d4a1b867ba57f79f1dd8607fb7c9dd09b9
# deadlock_bug.py --- # # Filename: deadlock_bug.py # Description: # Author: Subhasis Ray # Maintainer: # Created: Mon Jul 16 22:34:26 2012 (+0530) # Version: # Last-Updated: Mon Jul 16 23:07:27 2012 (+0530) # By: Subhasis Ray # Update #: 18 # URL: # Keywords: # Compatibility: # # # Commentary:...
dilawar/moose-full
moose-examples/traub_2005/py/deadlock_bug.py
Python
gpl-2.0
8,312
[ "MOOSE" ]
44a7d98b8912bc10223de843d4a341402feb7d05b6e8dafcf7cc6edcd625af65
#!/usr/bin/env python """ splinter http://splinter.cobrateam.info """ def main(): from splinter.browser import Browser browser = Browser() browser.visit('http://google.com') browser.fill('q', 'splinter - python acceptance testing for web applications') browser.find_by_css('.lsb').first.click() ...
jabbalaci/jabbapylib
demos/browser_automation/splinter_demo.py
Python
gpl-3.0
958
[ "VisIt" ]
812eb01625fe2cd4847a3c548303ea9f9b758f10f74452d7102d52662a22de78
#!/usr/bin/python # # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.1 # # Copyright: (c) 2017 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses...
roadmapper/ansible
lib/ansible/modules/network/avi/avi_virtualservice.py
Python
gpl-3.0
31,152
[ "VisIt" ]
662edb7cfd13912a5b2c956e718ae5662fd59438e398c01eac84315a04bb0170
#!/usr/bin/env python ''' Description: OWTF imap agent daemon plugin, to emulate user clicks via email ''' import re, subprocess URL_REGEX = 'http[:0-9a-zA-Z\.\/]+' #TODO: Play with below and see if it is better or not # http://daringfireball.net/2009/11/liberal_regex_for_matching_urls #url_regex = re.compile(r'\b(([\w...
sharad1126/owtf
agents/imap/payloads/link_clicker.py
Python
bsd-3-clause
727
[ "VisIt" ]
f36e5c979caeda34dd673f5da37894932d524433ffba02a6af49b1488d91bb95
""" This is only meant to add docs to objects defined in C-extension modules. The purpose is to allow easier editing of the docstrings without requiring a re-compile. NOTE: Many of the methods of ndarray have corresponding functions. If you update these docstrings, please keep also the ones in core/fromnum...
kushalbhola/MyStuff
Practice/PythonApplication/env/Lib/site-packages/numpy/core/_add_newdocs.py
Python
apache-2.0
201,718
[ "Brian" ]
056a9b13f15c8e1bfd62bca69b91f1eb719206f3c97c83390cd1ac7b9c0c3bf8
#!/usr/bin/env python # -*- coding: utf-8 -*- """ From a taxonomy ID retrieves all the nucleotide sequences It returns a multiFASTA nuc/prot file Entrez Database UID common name E-utility Database Name Nucleotide GI number nuccore Protein GI number protein Retrieve strategy: esearch to...
chamaelj/tools-artbio
tools/fetch_fasta_from_ncbi/retrieve_fasta_from_NCBI.py
Python
mit
17,584
[ "BLAST" ]
cf111844a9bbcc3a12473069ed2e76aa0f6d52589dbd24cd13b61903a463d7bb
#----------------------------------------------------------------------------- # Copyright (c) 2012 - 2018, Anaconda, Inc. All rights reserved. # # Powered by the Bokeh Development Team. # # The full license is in the file LICENSE.txt, distributed with this software. #---------------------------------------------------...
mindriot101/bokeh
bokeh/model.py
Python
bsd-3-clause
26,517
[ "VisIt" ]
3d4befd81eaafae26f347e3c6525fd274b2676f52f8ff9628232feb282489fcd
############################################################################## # Copyright (c) 2013-2016, 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...
wscullin/spack
var/spack/repos/builtin/packages/qmcpack/package.py
Python
lgpl-2.1
9,626
[ "ESPResSo", "QMCPACK", "Quantum ESPRESSO" ]
e86319e896ce5e9e0e01bf520171b3888419c348bf70fc8781a4320748910b86
import subprocess import sys subprocess.call(['npm', 'install']) subprocess.call(['node_modules/gulp/bin/gulp.js']) subprocess.call([sys.executable, 'manage.py', 'collectstatic', '--noinput'])
hamtamtots/sweetshopwebsite
sweetshop_site/restore.py
Python
mit
196
[ "GULP" ]
9c94fad9e5df027d1d9d7e699582e8f17695a158009c404b6a3abca630617e1e
# 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...
psci2195/espresso-ffans
testsuite/scripts/samples/test_MDAnalysisIntegration.py
Python
gpl-3.0
1,234
[ "ESPResSo", "MDAnalysis" ]
56847294621e1a31050f3392d74f7923a73019cfbb6c1b7df3eb782f79c63b90
# Copyright (c) 2019 MetPy Developers. # Distributed under the terms of the BSD 3-Clause License. # SPDX-License-Identifier: BSD-3-Clause """Test the simplified plotting interface.""" from datetime import datetime, timedelta from io import BytesIO import warnings import numpy as np import pandas as pd import pytes...
Unidata/MetPy
tests/plots/test_declarative.py
Python
bsd-3-clause
50,818
[ "Galaxy" ]
21ce47088cc887aaf9a3a990c632caacf8e72997c16865391599960e3b63f7cd
#! /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-service-management
scripts/fixup_servicemanagement_v1_keywords.py
Python
apache-2.0
6,796
[ "VisIt" ]
ee7c6fd694420069e65d12472cc95738246d2016d2aa3f12c0cbba4bf2a5a332
""" Compute the zero-point broadening (ZPB) using the dynamical AHC theory (ieig2rf=5). """ from ElectronPhononCoupling import compute # Lists of files used # =================== ddb_fnames = """ Calculations/01-LiF-dynamical/odat_calc_DS5_DDB.nc Calculations/01-LiF-dynamical/odat_calc_DS9_DDB.nc Calculations/01-Li...
jmbeuken/abinit
scripts/post_processing/ElectronPhononCoupling/Examples/1-3-dynamical-zpb.py
Python
gpl-3.0
1,956
[ "ABINIT" ]
4f538277e8e860096e4a5a1dbf351a129595afbe8251fffc59d1659e4f63910b
# # This source file is part of appleseed. # Visit https://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2019 Jonathan Dent, The appleseedhq Organization # # Permission is hereby granted, free of charge, to any person obtaining a copy #...
dictoon/blenderseed
ui/meshes.py
Python
mit
2,263
[ "VisIt" ]
a2081a647dc02814401cfd462efc77c18df0f2824320574b2b6df4b29519eb1b
############################### # This file is part of PyLaDa. # # Copyright (C) 2013 National Renewable Energy Lab # # PyLaDa is a high throughput computational platform for Physics. It aims to make it easier to submit # large numbers of jobs on supercomputers. It provides a python interface to physical input, suc...
pylada/pylada-light
tests/vasp/incar/test_incar_algo.py
Python
gpl-3.0
3,510
[ "CRYSTAL", "VASP" ]
2af5106fd27be65022bfb1029e9f69bbd44f2bb4bc3710f0cb7817fe6db659ae
import dateparser from datetime import datetime, timedelta, timezone import demistomock as demisto from CommonServerPython import * from FeedCyjax import INDICATORS_LAST_FETCH_KEY, DATE_FORMAT, INDICATORS_LIMIT, Client, main, \ test_module as module_test, get_indicators_last_fetch_date, set_indicators_last_fetch_...
demisto/content
Packs/FeedCyjax/Integrations/FeedCyjax/FeedCyjax_test.py
Python
mit
25,920
[ "Amber" ]
e19cc348f888be8228c8fba63d8baa8e26a194514d395a6f4def3237c34dbc96
__all__ = [ 'AddCellConnToPoints', 'PointsToTube', 'LonLatToUTM', 'RotatePoints', 'ExtractPoints', 'RotationTool', 'ExtractCellCenters', 'AppendCellCenters', 'IterateOverPoints', 'ConvertUnits', 'BuildSurfaceFromPoints', ] __displayname__ = 'Point/Line Sets' from datetime i...
banesullivan/ParaViewGeophysics
PVGeo/filters/xyz.py
Python
bsd-3-clause
36,851
[ "ParaView", "VTK" ]
92a3c5bb3f1734fdc57b43ccaf5994d2bd1b433bf990b45e9a0a4cf3632d78f0
# -------------- # USER INSTRUCTIONS # # Now you will put everything together. # # First make sure that your sense and move functions # work as expected for the test cases provided at the # bottom of the previous two programming assignments. # Once you are satisfied, copy your sense and move # definitions into the robo...
orsenthil/coursedocs
gatech/cs8803-O01/final_quiz.py
Python
apache-2.0
11,482
[ "Gaussian" ]
f8a5129493b68e44e893b44ff6590e669081cc16243b4c8677bd724cc85f9a3b
# -*- coding: utf-8 -*- """ Created on Fri Nov 04 14:56:12 2016 @author: jpeacock Gui to transform model data into vtk """ #============================================================================== # Imports #============================================================================== # standard packages impo...
MTgeophysics/mtpy
mtpy/gui/convert_model_to_vtk_qt5.py
Python
gpl-3.0
7,832
[ "VTK" ]
65e496f2b3e4c24235f198f1b81a93920662f250ad03bc11d198d01f14e1ecc6
""" Copyright (C) 2016 Quinn D Granfor <spootdev@gmail.com> This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License version 2, as published by the Free Software Foundation. This program is distributed in the hope that it will be useful, but ...
MediaKraken/MediaKraken_Deployment
source/db_update_version.py
Python
gpl-3.0
30,791
[ "Elk" ]
fc9c42910d7f5c3d7c189de16959c69428835ff9b1993af2ffc185a9e2d7678a
import pytest # TODO: Remove this once bioarchive is up again. from datetime import datetime from functools import partial SKIP_DUE_TO_BIOARCHIVE_OUTAGE = partial( pytest.mark.skipif, datetime.now() < datetime(2020, 6, 22), reason='temporarily skipped due to bioarchive.galaxyproject.org outage', ) from bi...
bioconda/bioconda-utils
test/test_bioconductor_skeleton.py
Python
mit
8,543
[ "Bioconda", "Bioconductor" ]
968b599c4a37018c66d7b042a4af00a6261de154ec2136ed8f3be52f2eeacab6
import functools from firefly.common import pixlib from firefly.widgets import ToolBarStretcher from firefly.qt import ( QToolBar, QMenu, QIcon, QAction, ) def preview_toolbar(wnd): toolbar = QToolBar(wnd) action_poster = QMenu("Set poster", wnd) action_poster.menuAction().setIcon(QIcon(...
immstudios/firefly
firefly/modules/detail_toolbars.py
Python
gpl-3.0
3,363
[ "Firefly" ]
567ce76722baac169fa6faf139e6f2a665929ee9f84291a6118df7f1dfbc55bf
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2019 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 #...
CDSherrill/psi4
psi4/driver/qcdb/subsetgenerator.py
Python
lgpl-3.0
4,294
[ "Psi4" ]
27144927daf434f9609169768c60bff7b27b193d11aa5443d19e9d75b0152888
#!/usr/bin/env python # # Electrum - Lightweight Bitcoin Client # Copyright (C) 2015 Thomas Voegtlin # # 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 y...
mazaclub/electrum-nmc
plugins/trustedcoin.py
Python
gpl-3.0
25,424
[ "VisIt" ]
8002b49e7dc6328aadc7bed0e10290d604d4d0ff1607052559fdd98ca476c18f
""" Reference: https://en.wikipedia.org/wiki/Gaussian_function """ from numpy import exp, pi, sqrt def gaussian(x, mu: float = 0.0, sigma: float = 1.0) -> int: """ >>> gaussian(1) 0.24197072451914337 >>> gaussian(24) 3.342714441794458e-126 >>> gaussian(1, 4, 2) 0.06475879783294587 >...
TheAlgorithms/Python
maths/gaussian.py
Python
mit
1,598
[ "Gaussian" ]
742188d6ab2fbbba9fa4c7849d3ae3ca052aabf845d7ef67af517b8d59dd541d
# -*- coding:utf-8 -*- # Author: hankcs # Date: 2020-07-16 18:44 import os from hanlp.utils.io_util import get_resource, get_exitcode_stdout_stderr, run_cmd def official_conll_05_evaluate(pred_path, gold_path): script_root = get_resource('http://www.lsi.upc.edu/~srlconll/srlconll-1.1.tgz') lib_path = f'{scri...
hankcs/HanLP
hanlp/metrics/srl/srlconll.py
Python
apache-2.0
1,701
[ "MOOSE" ]
08f7bc53b7b8fa2d3a97f0b613beaf356ce6c6562798b704c48f64c6cccca40e
# Site Model import networkx as nx from gen_model import * from random import * import datetime import pickle import datetime import os BLOG_TEST = 1 WIKI_TEST = 0 if BLOG_TEST: VISIT_RATE = 4 VISIT_UNIT = "days" NUM_USERS = 20 PERCENT_NEW = 0.3 FROM_DATE = datetime.datetime(2010, 05, 01) ...
eob/synckit-research
perf/usage_generator_2010_02_01.py
Python
bsd-3-clause
7,731
[ "VisIt" ]
08a9ca761d09b08ffcdb934ed9b8e28e2ce33b3ad34da20369af123409a20994
#### PATTERN | VECTOR #################################################### # -*- coding: utf-8 -*- # Copyright (c) 2010 University of Antwerp, Belgium # Author: Tom De Smedt <tom@organisms.be> # License: BSD (see LICENSE.txt for details). # http://www.clips.ua.ac.be/pages/pattern ######################################...
shubhangiKishore/pattern
pattern/vector/__init__.py
Python
bsd-3-clause
138,418
[ "NEURON", "VisIt" ]
6330c1a8d93ffb34cf19648b230a2eb74ad201a9a7838d118830665f5da059b3
import os,sys #sys.path.append(os.path.join(os.path.dirname(os.path.abspath(__file__)),'requests/')) import requests import vtk, qt, ctk, slicer from slicer.ScriptedLoadableModule import * import json class ClusterpostLib(object): def __init__(self, parent=None): if parent: parent.title = " " ...
ClementMirabel/DatabaseInteractorExtension
DatabaseInteractor/ClusterpostLib.py
Python
apache-2.0
4,777
[ "VTK" ]
acbdb965e134d88ea0a23ee3ba15096db1d49af6e9738547420fa863ba98d87f
from docopt import docopt from IPython import embed from ilxutils.cli import Client import json import os import requests as r from sys import exit import time import unittest VERSION = '0.0.2' # ILX:0108124 == "Organ" | term # ILX:0101431 == "brain" | term # ILX:0107497 == "Neuron" | term # ILX:0112772 == "Afferent pr...
tgbugs/pyontutils
ilxutils/tests/cli_test.py
Python
mit
3,750
[ "NEURON" ]
ad1afd3ee809fed0ecabddaef0b0eb4d324d80420ddd5a6757881838c0f8bb44
from __future__ import nested_scopes """ ################################################################################ # Copyright (c) 2003, Pfizer # Copyright (c) 2001, Cayce Ullman. # Copyright (c) 2001, Brian Matthews. # # All rights reserved. # # Redistribution and use in source and binary forms, with or without...
marco-mariotti/selenoprofiles
libraries/SOAPpy/Types.py
Python
gpl-2.0
51,871
[ "Brian" ]
516f6b678818a92bc4b7444ea4e1e0c517cbf1200d086c78fff4ddb973a963f6
# (C) 2013, James Cammarata <jcammarata@ansible.com> # Copyright: (c) 2019, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import (absolute_import, division, print_function) __metaclass__ = type import hashlib import json import os import t...
BondAnthony/ansible
lib/ansible/galaxy/api.py
Python
gpl-3.0
26,029
[ "Galaxy" ]
fb3fc17ed8958c1ef30d20adbc08acea51d8833a0eef04462ba90790ee8ca055
# -*- coding: utf-8 -*- """ ================ Vocal separation ================ This notebook demonstrates a simple technique for separating vocals (and other sporadic foreground signals) from accompanying instrumentation. This is based on the "REPET-SIM" method of `Rafii and Pardo, 2012 <http://www.cs.northwestern.ed...
librosa/librosa
docs/examples/plot_vocal_separation.py
Python
isc
4,721
[ "Brian" ]
6419d3f41d2e6fb39ffee063bcbefea7decb5149101c6582a5225bbf79f186c4
# -*- coding: utf-8 -*- """ The :mod:`sklearn.metrics.pairwise` submodule implements utilities to evaluate pairwise distances, paired distances or affinity of sets of samples. This module contains both distance metrics and kernels. A brief summary is given on the two here. Distance metrics are a function d(a, b) such...
soulmachine/scikit-learn
sklearn/metrics/pairwise.py
Python
bsd-3-clause
43,059
[ "Gaussian" ]
0299f68938247d2f385e59cc90ddcc44acc7af0b021186b5d314201f94c48b0d
# -*- coding: utf-8 -*- # # Copyright (c) 2017, the cclib development team # # This file is part of cclib (http://cclib.github.io) and is distributed under # the terms of the BSD 3-Clause License. """Charge Decomposition Analysis (CDA)""" import random import numpy from cclib.method.fragments import FragmentAnalysi...
ATenderholt/cclib
cclib/method/cda.py
Python
bsd-3-clause
4,422
[ "cclib" ]
be3aa7e1261792b6fd58fc392f919eedf988e30eda37c3e8427b867ba2ee5628
import dropbox class DropboxMixin(object): def setup(self): self.name = 'dropbox' self.pretty_name = 'Dropbox' self.addConfig('app_key', 'App Key', default='1ykd6aqi5m05m0t', internal=True) self.addConfig('app_secret', 'App Secret', default='qs5ga0gd61fxuz3', internal=True) self.addConfig('use...
theduke/mycloudbackup
mcb/utils/dropbo.py
Python
bsd-3-clause
1,685
[ "VisIt" ]
6b6abac31dcee0991aaa52138e2b9dd2251fe4ae5e2934271fecd351362f353c
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module contains some math utils that are used in the chemenv package. """ __author__ = "David Waroquiers" __copyright__ = "Copyright 2012, The Materials Project" __credits__ = "Geoffroy Hautier" __ve...
gmatteo/pymatgen
pymatgen/analysis/chemenv/utils/math_utils.py
Python
mit
11,244
[ "pymatgen" ]
bbb04a71febb4aa0007c92937e00cfba5ed206d80d2d90dc57e28faa55d8d50e
# Copyright (c) 2012-2014, GPy authors (see AUTHORS.txt). # Licensed under the BSD 3-clause license (see LICENSE.txt) from .posterior import Posterior from ...util.linalg import pdinv, dpotrs, tdot from ...util import diag import numpy as np from . import LatentFunctionInference log_2_pi = np.log(2*np.pi) class Exac...
jameshensman/GPy
GPy/inference/latent_function_inference/exact_gaussian_inference.py
Python
bsd-3-clause
2,785
[ "Gaussian" ]
b4e1016e53c2647ce57bc5edf26d3a1d9d2863cde73ff4ce115f9651ef9fac15
import cairo, math, sys import cairoplot from series import Series # non-random data for needs of visual comparison of changes if '--non-random' in sys.argv: random = lambda : 1.0 print('Plotting nonrandom data') else: import random random = random.random # Line plotting test_scatter_plot = 1 test_do...
m-labs/cairoplot3
seriestests.py
Python
lgpl-2.1
15,371
[ "Gaussian" ]
42ce4a4a5cc75b92c6c46b4b8c5f8086e51f588c7a05fecfce857587f0cac94c
from __future__ import division import numpy as np from keras import initializations, regularizers, constraints from keras import backend as K from keras.layers.core import Layer, Dense from .backend import random_binomial import theano class RBM(Layer): """ Bernoulli-Bernoulli Restricted Boltzmann Machi...
wuaalb/keras_extensions
keras_extensions/rbm.py
Python
mit
17,177
[ "Gaussian" ]
92def0a5ba0ba2450c3035bc8e1fc8e8f7297942d991747994e95ffd3b77d9b1
import logging from pywps import ComplexInput, ComplexOutput from pywps import Format from pywps import LiteralInput from pywps import Process from pywps.app.Common import Metadata from flyingpigeon import plt_ncdata from flyingpigeon.utils import extract_archive from flyingpigeon.nc_utils import get_variable # from ...
bird-house/flyingpigeon
flyingpigeon/processes/wps_plot_uncertainty.py
Python
apache-2.0
6,758
[ "NetCDF" ]
c3268494ce49a989b48d8002f5bf825f67728412495bc97b76e7c030e5a2a848
################################################################################ # Copyright (C) 2013 Jaakko Luttinen # # This file is licensed under the MIT License. ################################################################################ """ Unit tests for bayespy.utils.linalg module. """ import warnings w...
SalemAmeen/bayespy
bayespy/utils/tests/test_linalg.py
Python
mit
6,248
[ "Gaussian" ]
20a4b039e0669ac1324214fa4d6fa4713bb6519ce6ae87dee574080554195792
# Licensed under a 3-clause BSD style license - see LICENSE.rst """ SHA Query Tool -------------- :Author: Brian Svoboda (svobodb@email.arizona.edu) This package is for querying the Spitzer Heritage Archive (SHA) found at: http://sha.ipac.caltech.edu/applications/Spitzer/SHA. """ from .core import * import warnings ...
imbasimba/astroquery
astroquery/sha/__init__.py
Python
bsd-3-clause
446
[ "Brian" ]
650330a0db7c5160e378a57becad5a382a205f155b1418d24794cbcdb0799214
""" NormalizeMethodCalls turns built in method calls into function calls. """ from pythran.analyses import Globals, Ancestors from pythran.passmanager import Transformation from pythran.syntax import PythranSyntaxError from pythran.tables import attributes, functions, methods, MODULES from pythran.tables import duplic...
pombredanne/pythran
pythran/transformations/normalize_method_calls.py
Python
bsd-3-clause
11,301
[ "VisIt" ]
9ae4ac478ad1571705575753b0cf568971df399aa51c1c4529c8a5923f9a4baf
#!/usr/bin/env python # -*- coding: utf-8 -*- # # @Author: Brian Cherinka, José Sánchez-Gallego, and Brett Andrews # @Date: 2017-08-17 # @Filename: structs.py # @License: BSD 3-clause (http://www.opensource.org/licenses/BSD-3-Clause) # # @Last modified by: José Sánchez-Gallego (gallegoj@uw.edu) # @Last modified time: 2...
sdss/marvin
python/marvin/utils/general/structs.py
Python
bsd-3-clause
9,001
[ "Brian" ]
8de3b6f1f2c96b11656177eaabd4d72c9b1540826763e572384e2f4f22d7a163
#!/usr/bin/env python # Author: Greg Caporaso (gregcaporaso@gmail.com) # formatdb.py """ Description File created on 16 Sep 2009. """ from __future__ import division from optparse import OptionParser from os.path import split, splitext from os import remove from glob import glob from cogent.app.util import CommandLin...
sauloal/cnidaria
scripts/venv/lib/python2.7/site-packages/cogent/app/formatdb.py
Python
mit
8,701
[ "BLAST" ]
8db75904e9955ce29bce09b4ddf12f1a1e2d4b4a33acf170a812e7cbe5d62e41
from rdkit.Chem import AllChem from rdkit.Chem import Draw import sys print 'Number of arguments:', len(sys.argv), 'arguments.' print 'Argument List:', str(sys.argv) print sys.argv[1] #smiles = "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" smiles = sys.argv[1] file=sys.argv[2] x=int(sys.argv[3]) y=int(sys.argv[4]) print smiles mol = ...
BielStela/eTOXlabWS
scripts/generate_img.py
Python
gpl-3.0
387
[ "RDKit" ]
740af7bb4a25cf8396cf7b1d6431712ffdf39d559865e053db4a6853eea554fe
"""MSMBuilder: Statistical models for Biomolecular Dynamics """ from __future__ import print_function, absolute_import DOCLINES = __doc__.split("\n") import sys import traceback import numpy as np from os.path import join as pjoin from setuptools import setup, Extension, find_packages try: sys.dont_write_byteco...
cxhernandez/msmbuilder
setup.py
Python
lgpl-2.1
7,479
[ "Gaussian", "MDTraj" ]
bab578c664d102f7133ae04e5efcc918aa872ea34eaf1cf7e44976fc78b1e327
import sklearn.grid_search import scipy.stats.distributions import lb_loader import simtk.openmm.app as app import numpy as np import pandas as pd import simtk.openmm as mm from simtk import unit as u from openmmtools import hmc_integrators, testsystems pd.set_option('display.width', 1000) n_steps = 1500 temperature =...
kyleabeauchamp/HMCNotes
code/optimize/old/test_optimize_respa.py
Python
gpl-2.0
3,950
[ "OpenMM" ]
bc05a802211842bae7c730327c3ce0def76ba08b30f1720c3e81acc7b3fdac94
"""Steps to test the demonstration Cockpit plugin""" from behave import given, when, then from hamcrest import ( assert_that, equal_to, greater_than, greater_than_or_equal_to ) @given("Cockpit is installed on the testing host") def check_cockpit_is_installed(context): """Checks for the `cockpit-bridge` command...
vmindru/prototype
integration-tests/features/steps/cockpit_demo.py
Python
lgpl-2.1
14,754
[ "VisIt" ]
d4d2bfd8ed6c70435a278686bd2771727ea4e62ca41f2c48507e97bbd2f54839
# -*- coding: utf-8 -*- import numpy as np import parabem from parabem.vtk_export import VtkWriter from parabem.pan2d import * from parabem import PanelVector2, Vector2, Panel2 from parabem.airfoil.conformal_mapping import * from parabem.pan2d import DirichletDoublet0Source0Case2 as Case from parabem.utils import chec...
booya-at/paraBEM
examples/vtk/vtk_coordinates_not_aligned.py
Python
gpl-3.0
2,119
[ "VTK" ]
74f8033501e25d27773048dc42020a5daab1cd1b40aba61586fb6be3c53b6dc1
from __future__ import division, print_function, absolute_import import numpy as np from numpy.dual import eig from scipy.special import comb from scipy import linspace, pi, exp from scipy.signal import convolve __all__ = ['daub', 'qmf', 'cascade', 'morlet', 'ricker', 'cwt'] def daub(p): """ The coefficient...
mgaitan/scipy
scipy/signal/wavelets.py
Python
bsd-3-clause
10,472
[ "Gaussian" ]
f283a3ebba8b08073d07f9e09f47b09fbb9bd6597aee53510e9282d7df494453
""" Definition of default parameters (and hence, standard parameter names) for standard current source models. :copyright: Copyright 2006-2016 by the PyNN team, see AUTHORS. :license: CeCILL, see LICENSE for details. """ from pyNN.standardmodels import StandardCurrentSource from pyNN.parameters import Sequence clas...
anupkdas-nus/global_synapses
pyNN-dispackgaes/standardmodels/electrodes.py
Python
gpl-3.0
3,347
[ "Gaussian" ]
f3dcaacaf4cd651929b23e3bb23de7d910045f9c91677e9845f9a37a67c6092c
import numpy as np from scipy import stats from scipy.special import expit def exp_cosh(H, beta=1.0): return np.exp(beta * H) / (2. * np.cosh(beta * H)) def kinetic_ising_model(S, J, no_spike): """ Returns probabilities of S[t+1,:] being one. :param S: numpy.ndarray (T,N) Binary data where an e...
noashin/Ising_model_gibbs_sampler
network_simulator.py
Python
mit
2,687
[ "NEURON" ]
1a38705b5ec6f4856d0b936e4a0dab976f5c4e2662b6deb34a07141e55952efb
import _bct as bct """ Generator function for synthetic connection networks and graph randomization algorithms Synthetic Connection Networks * makerandCIJ_dir.m. (BD networks) Generates a random, directed network with a specified number of nodes and links. Contributor: OS. . * makerandCIJ_...
unidesigner/pyconto
pyconto/bct/generators.py
Python
gpl-3.0
14,595
[ "Gaussian" ]
c688065acce6fea3ae0a8d2845dbb6abab00d541ab81476f2b2d6073621be670
'''test_filterbyobjectmeasurements.py: Test FilterByObjectMeasurements module CellProfiler is distributed under the GNU General Public License. See the accompanying file LICENSE for details. Copyright (c) 2003-2009 Massachusetts Institute of Technology Copyright (c) 2009-2015 Broad Institute All rights reserved. Plea...
LeeKamentsky/CellProfiler
cellprofiler/modules/tests/test_filterobjects.py
Python
gpl-2.0
91,690
[ "Gaussian" ]
a42328129e0e552fee4c1c9a5a80a9109f2d176c8fa0955d5a1948ff756d82ed
import logging from random import Random from math import sin, cos, pi, atan2, sqrt, exp from collections import deque class NothingFoundError(Exception): pass class NotInThatSpotError(Exception): pass class ConnectionRefusedError(Exception): pass class Map(object): def __init__(self, width, height): sel...
evuez/mutations
mutations.py
Python
mit
9,837
[ "Gaussian" ]
270f48334f10e202cfbfcec5f2f725fa42abc5a967a545bdae7192fc8edd16a8
# -*- encoding: utf-8 -*- """ General helper functions that don't fit neatly under any given category. They provide some useful string and conversion methods that might be of use when designing your own game. """ from __future__ import division, print_function from builtins import object, range from future.utils impo...
titeuf87/evennia
evennia/utils/utils.py
Python
bsd-3-clause
59,783
[ "VisIt" ]
9fc9b93aff5c04d833add52422afa1799c9b93b1cffdcacfcbf3d1e5f47aee20
# -*- coding: utf-8 -*- # Generated by Django 1.10.2 on 2017-07-05 01:00 from __future__ import unicode_literals from django.db import migrations PLATFORM_MAP = { '3DO': '3do', 'Arcade': 'arcade', 'Amiga': 'amiga', 'Apple II': 'apple-e', 'Atari 2600': 'atari-2600', 'Atari 5200': 'atari-5200',...
lutris/website
platforms/migrations/0006_populate_tgdb_names.py
Python
agpl-3.0
1,918
[ "Jaguar" ]
d80bd01be5f8a704d6ebed1a8b2609f78a112c2df89a9bc2e6b9fe38b258b8c4
# Copyright (C) 2012, Christof Buchbender # BSD Licencse import math import sys import scipy from scipy.optimize import leastsq as least from numpy import asarray, mean, std, where, exp, log, sqrt, arange, float64, floor from copy import deepcopy as copy import random as rnd import astrolyze.functions.constants as co...
buchbend/astrolyze
build/lib/astrolyze/functions/astro_functions.py
Python
bsd-3-clause
46,095
[ "Gaussian" ]
18aa752eabcaaf90c018f243492d80652d79d58a12cd64b5c375a73435001d43
#!/usr/bin/env python #filename: pca.py import os import sys import time import re import math import argparse from time import sleep, gmtime, strftime from datetime import datetime import mdtraj as md import numpy as np from sklearn.decomposition import PCA, KernelPCA, IncrementalPCA from sklearn.metrics import euclid...
RUBi-ZA/MODE-TASK
pca.py
Python
gpl-3.0
17,248
[ "MDTraj" ]
3de452d8f779e724a3a78170b82759885c8979897212fd37aa116a6abc896d13
r""" I/O Registry (:mod:`skbio.io.registry`) ======================================= .. currentmodule:: skbio.io.registry Classes ------- .. autosummary:: :toctree: generated/ IORegistry Format Functions --------- .. autosummary:: :toctree: generated/ create_format Exceptions ---------- .. autos...
anderspitman/scikit-bio
skbio/io/registry.py
Python
bsd-3-clause
42,339
[ "scikit-bio" ]
5a5b90158b74902eda75e75f56f9d5f80a23a11932e4a80385e612b899d09cbb
"""Gaussian processes regression. """ # Authors: Jan Hendrik Metzen <jhm@informatik.uni-bremen.de> # # License: BSD 3 clause import warnings from operator import itemgetter import numpy as np from scipy.linalg import cholesky, cho_solve, solve_triangular from scipy.optimize import fmin_l_bfgs_b from sklearn.base im...
waterponey/scikit-learn
sklearn/gaussian_process/gpr.py
Python
bsd-3-clause
18,747
[ "Gaussian" ]
4ede303192657be7912ef14efb65ff53306b35b3516985236c314ac33c205ab6
# 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 u...
dmlc/tvm
python/tvm/relay/backend/contrib/ethosu/tir/compiler.py
Python
apache-2.0
6,772
[ "VisIt" ]
90e19db164bae8b8dae7f8c48965d58550073ad1950a720800434880972a40b2
from setuptools import setup import versioneer commands = versioneer.get_cmdclass() setup(name="magic-wormhole-transit-relay", version=versioneer.get_version(), description="Transit Relay server for Magic-Wormhole", author="Brian Warner", author_email="warner-magic-wormhole@lothar.com", ...
warner/magic-wormhole-transit-relay
setup.py
Python
mit
922
[ "Brian" ]
cded4045538efe1567481d93c98cc2cf51967ce60f9bad00172fb74423323cdc
#============================================================================== # analytical.py # Contains all python classes for computing analytical solutions for key # test problems for plotting or analysis. # # This file is part of GANDALF : # Graphical Astrophysics code for N-body Dynamics And Lagrangian Flui...
gandalfcode/gandalf
analysis/analytical.py
Python
gpl-2.0
19,743
[ "BLAST" ]
5b624ffe2d5b01fe13cf64afff20b29868ab4d251d400bb2e1f331b9d86de2ae
from common import Modules, data_strings_wide, load_yara_rules, PEParseModule, ModuleMetadata from string import lowercase, uppercase, punctuation, digits class projecthook(PEParseModule): def __init__(self): md = ModuleMetadata( module_name="projecthook", bot_name="ProjectHook", ...
bwall/bamfdetect
BAMF_Detect/modules/projecthook.py
Python
mit
1,350
[ "Brian" ]
08e31f285a9a5c0b2a6b5ece8cbf8d820e37442b1b4f104f25d352bffeebc37c
import os import shutil from datetime import datetime import tempfile import tarfile import random import threading import uuid import shutil from GangaCore import _gangaVersion from GangaCore.Core.exceptions import ApplicationConfigurationError, ApplicationPrepareError, GangaException, GangaFileError from GangaCore.GP...
ganga-devs/ganga
ganga/GangaLHCb/Lib/RTHandlers/GaudiExecRTHandlers.py
Python
gpl-3.0
34,456
[ "DIRAC" ]
a1073585e464eebe7acab26d5c8e74fe9bb2620e9287217b37ec214f4beeb37d
#!/usr/bin/env python # -*- coding: utf-8 -*- # v1.0: se permite argumento "-w" para escribir la salida en el archivo brutefir_config # v1.1: incorpora un coeff de xover "dirac pulse" para poder cargarlo en una vía full range" # v1.2: se permiten nuevos argumentos: # - un archivo brutefir.ini alternativo # - u...
rripio/FIRtro
bin/brutefir_config.py
Python
gpl-3.0
15,776
[ "DIRAC" ]
9d45b3e099e0dc773232ac843db5edc07351f7ec4aaa559b9d11440d3939af74
# Natural Language Toolkit: Conditional Random Fields # # Copyright (C) 2001-2013 NLTK Project # Author: Edward Loper <edloper@gmail.com> # URL: <http://nltk.org/> # For license information, see LICENSE.TXT """ An interface to Mallet <http://mallet.cs.umass.edu/>'s Linear Chain Conditional Random Field (LC-CRF) implem...
TeamSPoon/logicmoo_workspace
packs_sys/logicmoo_nlu/ext/pldata/nltk_3.0a3/nltk/tag/crf.py
Python
mit
31,278
[ "Gaussian" ]
e26cb12a9e5764f896acd471715cc7fc9fad9424627719e50f3dfb46305d66be
# (c) 2012-2014, Michael DeHaan <michael.dehaan@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) an...
brokenjacobs/ansible
lib/ansible/utils/color.py
Python
gpl-3.0
3,891
[ "Brian" ]
eb3d8d354747fa49ec1e05571fe6459ba3275e5a8cb06a35a343764391c3b1f2
import json import os from shutil import copy from pynit.tools import messages from pynit.tools import methods from pynit.handler.project import Project from pynit.pipelines import pipelines from pynit.process import Process from ..tools import progressbar, display, clear_output, HTML as title, display_html class Pip...
dvm-shlee/pynit
pynit/pipelines/base.py
Python
gpl-3.0
22,604
[ "VisIt" ]
9bd401765f1eb1ca09b4e8cc7bdd0446e13670713de1e1d45d38eb363fd19d8e
# -*- coding:utf-8; python-indent:2; indent-tabs-mode:nil -*- # Copyright 2013 Google Inc. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/l...
pombredanne/pytype
pytype/pytd/parse/ast_test.py
Python
apache-2.0
21,553
[ "VisIt" ]
52b4d7bbfddec0a63c5f46d8fd4a5192e690658340f05a6caf66a2fc7a07de84
# # This file is a part of the normalize python library # # normalize is free software: you can redistribute it and/or modify # it under the terms of the MIT License. # # normalize is distributed in the hope that it will be useful, # but WITHOUT ANY WARRANTY; without even the implied warranty of # MERCHANTABILITY or FI...
tomo-otsuka/normalize
tests/test_visitor.py
Python
mit
6,923
[ "VisIt" ]
448dd629c11d25066290683c0eef49caa7c40c93cf116e6a172a265ffaa048b4
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # vgrid - helper functions related to VGrid actions # 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 the GNU General P...
heromod/migrid
mig/shared/vgrid.py
Python
gpl-2.0
25,440
[ "Brian", "Dalton" ]
7c79c94cf1fc383729a0d601567f59a45abc5a84d7fc45dc12e8a9a366dd999b
# BurnMan - a lower mantle toolkit # Copyright (C) 2012, 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S. # Released under GPL v2 or later. import warnings import numpy as np from burnman.material import Material import burnman.eos as eos class Mineral(Material): """ This is the base class for al...
QuLogic/burnman
burnman/mineral.py
Python
gpl-2.0
10,036
[ "Avogadro" ]
889922f8ae7249a0509a62de814b4ff27721ef0ffd1623a091e7fbd4e9598c36
#coding=utf-8 """This module contains the "Viz" objects These objects represent the backend of all the visualizations that Caravel can render. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function from __future__ import unicode_literals import copy import has...
wbsljh/caravel-aidp
caravel/viz.py
Python
apache-2.0
78,988
[ "VisIt" ]
5c4358cd86280528655907529355c232dd2dd764405b4be7b07c2abc433f5cfb
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import gzip import json import os import unittest import warnings import xml.etree.cElementTree as ET from pathlib import Path from shutil import copyfile, copyfileobj import numpy as np import pytest from mo...
gmatteo/pymatgen
pymatgen/io/vasp/tests/test_outputs.py
Python
mit
89,380
[ "VASP", "Wannier90", "pymatgen" ]
92c5275c1fcb54b7c091e7a7178ada5bb3391c8499f1c7732bf5a88b4e808a05
# coding: utf-8 from __future__ import division, unicode_literals """ This module provides classes to perform fitting of structures. """ import six from six.moves import filter from six.moves import zip __author__ = "William Davidson Richards, Stephen Dacek, Shyue Ping Ong" __copyright__ = "Copyright 2011, The Mate...
yanikou19/pymatgen
pymatgen/analysis/structure_matcher.py
Python
mit
38,626
[ "pymatgen" ]
61681369351a954bcc2ac8d6dded41e1daa77d27592169d0ac0fbc7429e6790f
#! /usr/bin/env python # -*- coding : utf8 -*- # # This file is a part of Siesta Help Scripts # # (c) Andrey Sobolev, 2011-2015 # import os import glob from calctypes import CalcType from errors import FileError, UnsupportedError from evolution import Evolution from geom import Geom from options import Options impor...
ansobolev/shs
shs/calc.py
Python
mit
6,682
[ "LAMMPS", "SIESTA" ]
430eaeee09d59f00f12bf107dc832714ed1572946210384ef8bbb499a71dc4f9
from __future__ import print_function from distutils.core import setup from distutils.extension import Extension import numpy as np from distutils.ccompiler import new_compiler import os import sys import tempfile """ Check for OpenMP based on https://github.com/MDAnalysis/mdanalysis/tree/develop/package/setup.py retr...
mindriot101/batman
setup.py
Python
gpl-3.0
3,882
[ "MDAnalysis" ]
0e24c39bf858568f5af293630a3c588e3d919b1c13d158f8235d536f1f1d2fd3
../../../../../../../share/pyshared/orca/scripts/toolkits/Gecko/formatting.py
Alberto-Beralix/Beralix
i386-squashfs-root/usr/lib/python2.7/dist-packages/orca/scripts/toolkits/Gecko/formatting.py
Python
gpl-3.0
77
[ "ORCA" ]
376d4ed00580ce1b520d7670631f70dc5e28bc9696c005e784c56c4563b2a4db
from ase import Atoms from ase.visualize import view from ase.calculators.emt import EMT from ase.constraints import FixAtoms from ase.optimize import QuasiNewton from ase.lattice.surface import fcc111,add_adsorbate h = 1.85 d = 1.10 slab = fcc111('Cu', size=(4,4,2), vacuum=10.0) slab.set_calculator(EMT()) e_slab = ...
grhawk/ASE
tools/doc/tutorials/N2Cu.py
Python
gpl-2.0
769
[ "ASE" ]
13e01e88baf864d8d847216dde8247794b2ada9b02d75879dc5eb1e1c23f8906
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
susilehtola/psi4
psi4/driver/qcdb/psiutil.py
Python
lgpl-3.0
5,058
[ "Psi4" ]
9136aaa849a49f89283afd749161900219ef64c717a56ba08658ef3c818775f1