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""" # Copyright (c) 05 2015 | surya # 06/05/15 nanang.ask@kubuskotak.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 2 # of the License, or (at your option) any later ve...
suryakencana/niimanga
niimanga/tests/test_context/test_insert_anime.py
Python
lgpl-3.0
8,321
[ "BLAST", "Octopus" ]
6a68157dffc0c1baa3c66065ea6d989cdb78ab5516a6003d0d66c50766df7ad6
""" This module provides functions for running verification checks on small models and to create reports about them. """ from __future__ import print_function from collections import defaultdict import ConfigParser import argparse import csv import datetime import json import logging import os import glob import math ...
nens/threedi-verification
threedi_verification/verification.py
Python
gpl-3.0
41,292
[ "NetCDF" ]
521ff602936aa11c06aac4942e69b7da8973d1be760fd6c7001a8761561ac7d3
#!/usr/bin/python # # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # # Copyright: (c) 2017 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) # ANSIB...
simonwydooghe/ansible
lib/ansible/modules/network/avi/avi_scheduler.py
Python
gpl-3.0
5,284
[ "VisIt" ]
2ca5b4e3980c7fdf8e906aa687838d04f7b59c26a392e227c67601f711dca89f
""" Analysis of a single session, single subject fMRI dataset ========================================================= In this tutorial, we compare the fMRI signal during periods of auditory stimulation versus periods of rest, using a General Linear Model (GLM). The dataset comes from an experiment conducted at the ...
bthirion/nistats
examples/01_tutorials/plot_single_subject_single_run.py
Python
bsd-3-clause
14,185
[ "Gaussian" ]
e460385096adb6a35211bc0ab7f8dde832e2326878f8a104014270449ddec130
# # 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...
akopich/spark
python/pyspark/ml/clustering.py
Python
apache-2.0
41,736
[ "Gaussian" ]
b1a3a3f667db79986c044a671af338a0d7f0761694ead220e9f0983a374b1b06
# # @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/dbwrap.py
Python
lgpl-3.0
174,568
[ "Gaussian", "Psi4", "PyMOL" ]
1b425bc695bcc60804c8ebe967972dfc196fe0e22d05d2621e8cd528e9ee0a5d
""" # Notes: - This simulation seeks to emulate the COBAHH benchmark simulations of (Brette et al. 2007) using the Brian2 simulator for speed benchmark comparison to DynaSim. However, this simulation includes CLOCK-DRIVEN synapses, for direct comparison to DynaSim's clock-driven architecture. The synaptic connec...
asoplata/dynasim-benchmark-brette-2007
Brian2/brian2_benchmark_COBAHH_clocksyn_hidens_compiled_4000.py
Python
gpl-3.0
3,912
[ "Brian" ]
a39f7dbfd4aac09c006719614bb97704bc8c1286d4323355186d2d140d1fee1b
""" Copyright (c) 2014 Brian Muller Copyright (c) 2015 OpenBazaar """ import heapq from operator import itemgetter from protos import objects class Node(object): def __init__(self, node_id, ip=None, port=None, signed_pubkey=None, vendor=False): self.id = node_id self.ip = ip ...
the9ull/OpenBazaar-Server
dht/node.py
Python
mit
3,782
[ "Brian" ]
c369888b51b42c4c8d8f8f26cf5639026f8c386332a5d2ed03aed892c7d3485a
""" Manage tool data tables, which store (at the application level) data that is used by tools, for example in the generation of dynamic options. Tables are loaded and stored by names which tools use to refer to them. This allows users to configure data tables for a local Galaxy instance without needing to modify the t...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/tools/data/__init__.py
Python
gpl-3.0
25,532
[ "Galaxy" ]
46f6bf36f20f5beb3651a37243ddc6d86eca8e045c7b59698dc178e829940d4f
from __future__ import annotations import os from dxtbx.model import Crystal from rstbx.cftbx.coordinate_frame_helpers import align_reference_frame from scitbx import matrix def dump(experiments, directory): """ Dump the experiments in mosflm format :param experiments: The experiments to dump :para...
dials/dials
util/mosflm.py
Python
bsd-3-clause
3,905
[ "CRYSTAL" ]
0ae44afd5d2783e6f85c80b9abbf0a579bc62a79a3280971d8c7b5e3b2221ebd
import numpy as np import pandas as pd import scipy as sp import pickle from scipy import fft from time import localtime, strftime import matplotlib.pyplot as plt from skimage.morphology import disk,remove_small_objects from skimage.filter import rank from skimage.util import img_as_ubyte import wave #############...
jonathanwoodard/MLSP_2013
1_pattern_extraction.py
Python
mit
10,429
[ "Gaussian" ]
1b76a2f6894ba8cf6c296a64dd12c1e50b3b461fbe687ca2644aaf1d61ccb3a0
# -*- coding: utf-8 -*- # Copyright (c) 2010-2016 OpenStack Foundation # # 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...
swiftstack/swift
test/unit/proxy/test_server.py
Python
apache-2.0
506,879
[ "MOOSE" ]
8a546d5890c143200795a88f07167518b0005525492a70dd3b858273b6efcfbe
#!/usr/bin/env python # Fat-free Python3 to Javascript/ES6 compiler attempt. # see https://github.com/ahmedaliadeel/bulbul import ast import astor # pip install astor import json import os import simplejson as json import sys #x = ast.parse(open("dec4.py").read()) #from bs4 import BeautifulSoup #import bs4 # see ht...
mdornseif/bulbul
bulbul.py
Python
lgpl-3.0
8,682
[ "VisIt" ]
2d3ca35451b13ef379184b625fd6e71832462c8109aa343f2174e584b52d1f60
# # Copyright (C) 2015 Jerome Kelleher <jerome.kelleher@well.ox.ac.uk> # # 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....
jeromekelleher/ancestral-waves
src/simulations.py
Python
gpl-3.0
56,496
[ "Gaussian" ]
3f522c20b80f5312d6ca6ef56130061e1f1c38bc920e09825903e209c032b576
#!/usr/bin/env python # encoding: utf-8 """ vcf2phylip.py Created by Nick Crawford on 2011-11-18. Copyright (c) 2011 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, ...
ngcrawford/pypgen
scripts/vcf2fasta_alignment.py
Python
bsd-3-clause
10,419
[ "pysam" ]
244e921b1c9b9c9b4459e72786e3aaf070499ac4cf4856873f233c44af243032
# LIBTBX_SET_DISPATCHER_NAME dev.dials.make_sphinx_html from __future__ import annotations import os import sys from optparse import SUPPRESS_HELP, OptionParser import procrunner import py import dials.util @dials.util.show_mail_handle_errors() def run(args=None): dials_dir = py.path.local(dials.__file__).dir...
dials/dials
command_line/make_sphinx_html.py
Python
bsd-3-clause
3,965
[ "Biopython" ]
f32901d07f8003ba91616769e489e18afca2d316587c694f494c00443ade4800
"""Rewrite assertion AST to produce nice error messages.""" import ast import errno import functools import importlib.abc import importlib.machinery import importlib.util import io import itertools import marshal import os import struct import sys import tokenize import types from pathlib import Path from pathlib impor...
pytest-dev/pytest
src/_pytest/assertion/rewrite.py
Python
mit
43,855
[ "VisIt" ]
cb29b6935955e87a133726f0ce9d777f71827efe950ff0c777562de1bb36633a
#!/usr/bin/python # -*- coding: utf-8 -*- from __future__ import print_function import urllib,urllib2,re,xbmcplugin,xbmcgui,sys,xbmcaddon,base64,socket import CommonFunctions, urlparse, os try: import StorageServer except: import storageserverdummy as StorageServer cache = StorageServer.StorageServer("cinemassacre_...
Kr0nZ/plugin.video.cinemassacre_com
default.py
Python
gpl-2.0
16,101
[ "BLAST" ]
6a4113f326cd10d0c9c48943ffe7676a7d21c062d34b671b92b938e446c93f9f
# -*- coding: utf-8 -*- # Copyright 2007-2016 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at...
vidartf/hyperspy
hyperspy/models/model1d.py
Python
gpl-3.0
30,579
[ "Gaussian" ]
eb3bba2e1e9975512ce72024a60172bed4fa612fbdf3e34d4bb6156b5b1f1f6f
import logging import os import sqlite3 import sys from collections import OrderedDict, defaultdict from functools import wraps from warnings import warn import numpy as np import pyproj import regex from cf_units import Unit from compliance_checker import cfutil from compliance_checker.base import BaseCheck, BaseN...
ioos/compliance-checker
compliance_checker/cf/cf_1_7.py
Python
apache-2.0
34,165
[ "NetCDF" ]
0e9817d3c90284202df565568aeb52de75c8a4832efc295de47cd43e13f51782
# -*- coding: utf-8 -*- """ Regression tests for the Test Client, especially the customized assertions. """ from __future__ import unicode_literals import itertools import os from django.contrib.auth.models import User from django.contrib.auth.signals import user_logged_in, user_logged_out from django.http import Htt...
filias/django
tests/test_client_regress/tests.py
Python
bsd-3-clause
63,582
[ "VisIt" ]
21b3e204855551e496bfe7a989ffd81e1fa9a361780b194d7963e130460210ef
# -*- coding: utf-8 -*- # ------------------------------------------------------------ # MCT - Mini Cliente Torrent # ------------------------------------------------------------ import os import re import tempfile import urllib import urllib2 import platform import sys import traceback import xbmc imp...
alfa-jor/addon
plugin.video.alfa/platformcode/mct.py
Python
gpl-3.0
40,280
[ "ADF" ]
2664a9c87bd90292b1854f37768481b438ee65019b7896268449163fed64891f
""" Deprecating this in favor of parser.py """ import imp import ast import inspect from operator import add from string import maketrans, translate from collections import OrderedDict, Iterable from coretypes import Integer, TypeVar, Record, Enum, Type, DataShape, \ Range, Either, Fixed syntax_error = """ Fil...
davidcoallier/blaze
blaze/datashape/parse.py
Python
bsd-2-clause
4,984
[ "VisIt" ]
dc56fc738df5ef8291341d414b44ddaca3b311c51d814c7489df06a6457a53c4
# 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...
psci2195/espresso-ffans
testsuite/python/lb_poiseuille_cylinder.py
Python
gpl-3.0
7,173
[ "ESPResSo" ]
45f30a3c35e19ac84662f3c02c735f063c438f768ec8c2de188a450a11241800
#! /usr/bin/env python from __future__ import print_function from openturns import * TESTPREAMBLE() RandomGenerator.SetSeed(0) try: # this analitycal example is taken from "Bayesian Modeling Using WinBUGS" - Ioannis Ntzoufras # 1.5.3: Inference for the mean or normal data with known variance # Variable...
aurelieladier/openturns
python/test/t_RandomWalkMetropolisHastings_std.py
Python
lgpl-3.0
3,113
[ "DIRAC" ]
717df9caa32835e93065e144d5ec966bc6b2e239b5b99021e23b3bc408352955
import datetime from sqlalchemy import ( JSON, Boolean, Column, DateTime, Enum, ForeignKey, Index, Integer, String, UniqueConstraint, func, select, ) from sqlalchemy.dialects.postgresql import JSONB, aggregate_order_by from sqlalchemy.ext.hybrid import hybrid_property fr...
psi4/DatenQM
qcfractal/storage_sockets/models/results_models.py
Python
bsd-3-clause
17,462
[ "RDKit" ]
26d77fb98719c04c1432d72d84f950cd3764f2d383ab08bbd928f8b4f779804f
from ovito import * from ovito.io import * from ovito.modifiers import * import numpy as np node = import_file("../../files/CFG/shear.void.120.cfg") modifier = CentroSymmetryModifier() node.modifiers.append(modifier) print("Parameter defaults:") print(" num_neighbors: {}".format(modifier.num_neighbors)) modifier.n...
srinath-chakravarthy/ovito
tests/scripts/test_suite/centrosymmetry_modifier.py
Python
gpl-3.0
446
[ "OVITO" ]
8ee402d6471b35c3b3bea9696141c7921c05594446c14ed0efc453bab3fa6f49
#!/usr/bin/env python # 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 prog...
d7415/merlin
excalibur.py
Python
gpl-2.0
95,164
[ "Galaxy" ]
5546c7a70355177113bab2a22c22b87c557df342b0456e9be5628d040892c275
''' Created on May 5, 2015 @author: julian ''' import math import random import matplotlib.pyplot as plt from Chromosome import * REGION_SIZE = 100.0 NUMBER_OF_CITIES = 10 NUMBER_OF_CHROMOSOMES = 100 NUMBER_OF_EPOCHS = 100 MUTATION_PROBABILITY = 0.25 RANDOM_SEED = 9876 cities = {} def plot_citi...
jjbunn/PyGeneticAlgorithm
TravellingSalesmanGA.py
Python
apache-2.0
4,203
[ "VisIt" ]
e252ed238ccf5d50f947f757b43d071bce138985a6b4f954d848cb4b72d69d85
""" Recommendation Steps Steps file for recommendation.feature """ import environment import json import requests from app import server from behave import * from os import getenv from compare import expect, ensure from selenium import webdriver from selenium.webdriver.common.by import By from selenium.webdriver.supp...
devopsdelta/recommendations
features/steps/recommendations_steps.py
Python
apache-2.0
8,199
[ "VisIt" ]
90f3cf196bed71dd6060adbe5a75625ca5237a84fb5cf7e1f3d7809f6ac4a723
"""Screen aggregate geometries with respect to similarity. This subsubmodule is part of ManipulateAggregates.energyscan. It implements the third step of the 3-step procedure that creates low energy aggregate geometries. Parallelization is only supported for the determination of pointgroups. """ # This file is part o...
razziel89/ManipulateAggregates
ManipulateAggregates/energyscan/similarityscreening.py
Python
gpl-3.0
30,196
[ "Pybel" ]
5f362a7872416baa51f6eb8c600c31cb15adb12527f6b69bddf56f222d5778dd
############################################################################## # 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...
mfherbst/spack
var/spack/repos/builtin/packages/r-affyilm/package.py
Python
lgpl-2.1
2,014
[ "Bioconductor" ]
09d5218c53512a143a4f622443c5f3c35f8792dd47babfa181acf93c7f02e5b7
# Copyright (c) 2012, Cloudscaling # All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); you may # not use this file except in compliance with the License. You may obtain # a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable...
NetApp/manila
manila/hacking/checks.py
Python
apache-2.0
13,099
[ "VisIt" ]
ceb705fa7c10d9612d02db7a77b66200d475d1a3fc97472c865e0cbd31c6c3d7
""" cluster.py This module contains functions for creating and manipulating clusterings/partitionings. """ import os import sys from rasmus import graph from rasmus import util from compbio import blast # TODO: update function name styles ############################################## # comparing c...
wutron/compbio
rasmus/cluster.py
Python
mit
3,561
[ "BLAST" ]
88fad043eeebf866b10d44b59ad0478c0521c55c09e90b1f2e07cdc74a839321
# test_gc.py --- # # Filename: test_gc.py # Description: # Author: Subhasis Ray # Maintainer: # Created: Mon May 19 10:25:13 2014 (+0530) # Version: # Last-Updated: # By: # Update #: 0 # URL: # Keywords: # Compatibility: # # # Commentary: # # # # # Change log: # # # # # This program...
subhacom/moose-core
tests/python/test_gc.py
Python
gpl-3.0
3,727
[ "MOOSE" ]
258ba220d58f99ff50aeb9edce1c802900a850b0d8e5522a3a0dc03fac3b3c3d
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Single_Contact_Classification/Time_Window/test11_cross_validate_objects_400ms.py
Python
mit
4,621
[ "Mayavi" ]
ef3822e864413cf94ff8b3f49d89a6acbe28c69b3f7f986e021ebe5b7d08f6d6
from splinter import Browser import config import time def firstwizard(b, name): b.visit( config.serverurl + name ) b.find_by_css('a.button-large').click() b.find_by_css('#dbname').fill( name ) b.find_by_css('#uname').fill( config.dbuser ) b.find_by_css('#pwd').fill( config.dbpass ) b.find_by_c...
kkarpieszuk/setwp
libraries/brwsr.py
Python
mit
2,920
[ "VisIt" ]
86fc169c52918a12de51bad91461901302fcc795568d5bae1994ee8856eb3dff
#!/usr/bin/env python """ This script regenerates the enum values in pymatgen.core.libxc_func.py. It requires in input the path of the `libxc_docs.txt` file contained in libxc/src The script parses this file, creates a new json file inside pymatgen.core and update the enum values declared in LibxcFunc. The script must ...
johnson1228/pymatgen
dev_scripts/regen_libxcfunc.py
Python
mit
3,433
[ "pymatgen" ]
80359c5ff4b89a4f90ee8ee071829432afb8c8bd56d64202bf93311a17b9c8ca
# -*- coding: utf-8 -*- # Copyright 2012 splinter authors. All rights reserved. # Use of this source code is governed by a BSD-style # license that can be found in the LICENSE file. from .fake_webapp import EXAMPLE_APP class SlowlyTypeTest(object): def test_simple_type(self): "should provide a away to ...
gjvis/splinter
tests/type.py
Python
bsd-3-clause
2,407
[ "VisIt" ]
927fcca5e8a782d17913413370587797f39995c4b2c17cf34806b206bf3bbb91
from tigershark.facade import CompositeAccess from tigershark.facade import ElementAccess from tigershark.facade import ElementSequenceAccess from tigershark.facade import Facade from tigershark.facade import Money from tigershark.facade import SegmentAccess from tigershark.facade import SegmentConversion from tigersha...
jdavisp3/TigerShark
tigershark/facade/f271.py
Python
bsd-3-clause
17,122
[ "VisIt" ]
04b37f4ffb38d7bfb25954b0b005503a21bc6f3174624e6480980db751357716
#* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgpl-2.1.html import sys i...
nuclear-wizard/moose
python/TestHarness/__init__.py
Python
lgpl-2.1
585
[ "MOOSE" ]
24128015aa77395d2b68cb00438379d1ecb3018d7b1af5f90222a7da0a95fb5d
# multiComptSigNeur.py --- # Upi Bhalla NCBS Bangalore 2013. # Commentary: # A toy compartmental neuronal + chemical model. The neuronal model is in # a dendrite and five dendritic spines. The chemical model is in three # compartments: one for the dendrite, # one for the spine head, and one for the postsynaptic dens...
dilawar/moose-full
moose-examples/snippets/multiComptSigNeur.py
Python
gpl-2.0
21,008
[ "MOOSE" ]
a78064953c4a3ea7fe6f3dbd5d2d92dde84ac2017cd1f6d0b29fc50c60865d4a
""" =============================================== :mod:`ec` -- Evolutionary computation framework =============================================== This module provides the framework for creating evolutionary computations. .. Copyright 2012 Inspired Intelligence Initiative .....
phantomas1234/inspyred
inspyred/ec/ec.py
Python
gpl-3.0
36,219
[ "Gaussian" ]
d31c897f90656e489916df6671b4464d51ee034195274cf8711b0b28723fac48
# Copyright 2021, OpenCensus 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 applicable law or agreed to in w...
census-ecosystem/opencensus-python-extensions-azure
examples/functions_requests.py
Python
apache-2.0
3,120
[ "VisIt" ]
4123ae30a7555d405d4701b50b1ed0f81c478fbbe2d67cdf3bed174a24e4507e
#!/usr/bin/env python """ Send an email via Gmail either as a text or as an HTML. # from jabbapylib.mail import gmail_send """ import os import smtplib from email.MIMEMultipart import MIMEMultipart from email.MIMEBase import MIMEBase from email.MIMEText import MIMEText from email import Encoders def mail_text(send...
jabbalaci/jabbapylib
jabbapylib/mail/gmail_send.py
Python
gpl-3.0
3,426
[ "VisIt" ]
e40bd06e2ffddccc3cbb22a250042b795a39f79b79ddc5163aa439059bd0abaa
# -*- coding: utf-8 -*- # # test_parrot_neuron_ps.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 L...
sdiazpier/nest-simulator
testsuite/pytests/test_parrot_neuron_ps.py
Python
gpl-2.0
10,591
[ "NEURON" ]
0fa48a9fb2f3cb967301d59ed1e5da5efbb2b8da6942e3e07bbd6f6489f6dd64
import os import numpy as np import pyfits as pyf try: import cPickle as pickle except ImportError: import pickle class galaxy: __module__ = os.path.splitext(os.path.basename(__file__))[0] def __init__(self, ID=-1, RA=-1, DEC=-1, Imag=-1, Zmag=-1, Jmag=-1...
boada/ICD
sandbox/legacy_plot_code/mk_galaxy_struc_fortable.py
Python
mit
9,825
[ "Galaxy" ]
32f3eb168c06161d2e61b34d5f44d527a70c311b65f187f5a66a996ea0af4f1c
import matplotlib.pylab as plt from patch import PolygonPatch from matplotlib.collections import PatchCollection from matplotlib import cm from os import path from shyft.repository.service.gis_location_service import GisLocationService from shyft.repository.netcdf.arome_data_repository import AromeDataRepository from ...
felixmatt/shyft
shyft/tests/demo_statkraft_stuff.py
Python
lgpl-3.0
7,055
[ "NetCDF" ]
514e2c8d8283b1a39415fb8258048df1866b99c25b9c49292a64e6f384b97fca
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2015 Stanford University and the Authors # # Authors: Jason Swails # Contributors: # # MDTraj is free software: you ...
rmcgibbo/mdtraj
mdtraj/formats/psf.py
Python
lgpl-2.1
9,757
[ "CHARMM", "Dalton", "MDTraj", "OpenMM" ]
0a917650acbe858e9d94b8ee2d5e9a0457e8c395ef20b0f19bdabf53da558af8
#!/usr/bin/python2.4 # # Copyright 2007 The Python-Twitter Developers # # 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...
theZacAttacks/python-tcler
get_access_token.py
Python
bsd-2-clause
4,316
[ "VisIt" ]
d3613ea270fb789bb1022c1f47d5b6f0cacb00de96d0581566764df62464fcca
# Copyright (c) 2018 PaddlePaddle Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appli...
PaddlePaddle/Paddle
python/paddle/fluid/layers/nn.py
Python
apache-2.0
613,109
[ "Gaussian", "NEURON" ]
c0b87b8c7f8d83aa2b1b4a02dccee5871549ccdb5df49e327d4c6605fbf750b1
# -*- coding: utf-8 -*- # TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry # and reaction kinetics. # Copyright (C) 2008-2012 Toon Verstraelen <Toon.Verstraelen@UGent.be>, An Ghysels # <An.Ghysels@UGent.be> and Matthias Vandichel <Matthias.Vandichel@UGent.be> # Center for Molecular Modeling...
molmod/tamkin
tamkin/io/qchem.py
Python
gpl-3.0
6,083
[ "Avogadro", "Q-Chem" ]
117bc5a39c09721a998968775398f5e4dd693bb34aad7ccc00c0cea4e3c758ee
#!/usr/bin/python # # Created on Aug 25, 2016 # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.1 # # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the te...
andreaso/ansible
lib/ansible/modules/network/avi/avi_pool.py
Python
gpl-3.0
18,173
[ "VisIt" ]
6bd20928069109bd303717f1724a48e88070e22b9639f31a95ff737259658e49
from xstruct import pack from objects import Object class Galaxy(Object): """\ The Galaxy is a container for a large group of close star systems, like the Milky Way. The Galaxy contains no extra data. """ subtype = 1 substruct = "" def __init__(self, sequence, \ id, type, name, \ size, \ posx, posy...
thousandparsec/libtpproto-py
tp/netlib/objects/ObjectExtra/Galaxy.py
Python
lgpl-2.1
627
[ "Galaxy" ]
b46b0712115c86a06ab94709c098dbc0a821c7eaee7ac2eeba903c83319a0dac
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import logging import numpy as np from monty.json import MSONable from scipy.spatial import HalfspaceIntersection from scipy.optimize import bisect from itertools import chain from pymatgen.electronic_structur...
dongsenfo/pymatgen
pymatgen/analysis/defects/thermodynamics.py
Python
mit
30,394
[ "pymatgen" ]
31d0f6133acac7893c10654df458cc944dcfbc43c205056370ea73afcde91570
#!/usr/bin/python # -*- coding: utf-8 -*- # # Copyright (C) 2017 Lenovo, Inc. # # 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 # ...
HuaweiSwitch/ansible
lib/ansible/modules/network/lenovo/cnos_interface.py
Python
gpl-3.0
26,955
[ "VisIt" ]
145c1eee3ad41d7d6b4b61b7a78e3b94418fa7946fdcd9e65d920641767b3719
# -*- coding: utf-8 -*- # Unit tests for cache framework # Uses whatever cache backend is set in the test settings file. from __future__ import unicode_literals import copy import os import re import shutil import tempfile import threading import time import unittest import warnings from django.conf import settings ...
synasius/django
tests/cache/tests.py
Python
bsd-3-clause
85,392
[ "Brian" ]
d865c877f2996a66ebb90c1190b919e0e40116f1abd3dca4808a2a228c804add
# Copyright 2017 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
npuichigo/ttsflow
third_party/tensorflow/tensorflow/contrib/timeseries/python/timeseries/ar_model.py
Python
apache-2.0
32,793
[ "Gaussian" ]
e58fdbb2aa861bdcde9a4933f8536f55f96b1a4599d2bf721170cd768650d339
#!/usr/bin/python2.5 # Copyright (C) 2007 Google Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable la...
google/transitfeed
schedule_viewer.py
Python
apache-2.0
19,533
[ "VisIt" ]
8924f93bb598518492832043414b60e7e6b5716f43bd57991631ef34e5926199
#!/usr/bin/env python # Copyright (c) 2011-2018-2017, wradlib developers. # Distributed under the MIT License. See LICENSE.txt for more info. import unittest import tempfile import wradlib.georef as georef import wradlib.zonalstats as zonalstats import wradlib.util as util import numpy as np from osgeo import osr np...
heistermann/wradlib
wradlib/tests/test_zonalstats.py
Python
mit
24,331
[ "NetCDF" ]
5889aa7c230715712d264473312000836b0d6113bb56200007d98718fc1f1d42
import os import random import datetime from django.db import models from django.contrib.auth.models import User, Group from django.forms import ModelForm, Textarea, TextInput from django.forms.extras.widgets import SelectDateWidget from .settings import * from django.db import transaction from itertools import chain ...
dparizek/newecosystems
newecosystems/apps/core/models.py
Python
mit
8,070
[ "Firefly" ]
1be8586186e230ffb877bdec09ddc718f1ba418089b490be033ccee817d762b1
## INFO ######################################################################## ## ## ## COUBLET ## ## ======= ...
petervaro/coublet
views/stream.py
Python
mit
3,574
[ "VisIt" ]
dc670d1af51cba149ce7a743e4c94695f5512f3f0807d26db089d56325bf12c1
""" Courseware views functions """ import logging import urllib import json from datetime import datetime from collections import defaultdict from django.utils import translation from django.utils.translation import ugettext as _ from django.conf import settings from django.core.context_processors import csrf from d...
adlnet-archive/edx-platform
lms/djangoapps/courseware/views.py
Python
agpl-3.0
41,049
[ "VisIt" ]
87680671a61e577406ab25abf0a11c7a9c59d8948b98ce5853ac028d0d3570b2
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # ...
kain88-de/mdanalysis
testsuite/MDAnalysisTests/analysis/test_rms.py
Python
gpl-2.0
12,496
[ "MDAnalysis" ]
c3b1bdd27b7413d9c7a3af95a58b26d3796a5a28c7a6d45700df98dc17951996
# -*- coding: utf-8 -*- from twisted.plugin import IPlugin from pymoronbot.moduleinterface import IModule, ignore from pymoronbot.modules.commandinterface import BotCommand from zope.interface import implementer import random import datetime import re from six import iteritems from pymoronbot.message import IRCMessa...
MatthewCox/PyMoronBot
pymoronbot/modules/automatic/Responses.py
Python
mit
29,919
[ "Octopus" ]
819a7684639a85517eb9dfecc7123cd22db99515bfce82264e30bbbeaac507c2
# Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appl...
sunqm/pyscf
pyscf/pbc/df/test/test_band.py
Python
apache-2.0
3,476
[ "PySCF" ]
c303a1a571d364357934b63a3cf563380b1bba3e9eb3187ff9f75afad67cd584
from __future__ import division from warnings import warn import numpy as np binary_erosion = None # expensive, from scipy.ndimage binary_dilation = None # expensive, from scipy.ndimage from menpo.base import MenpoDeprecationWarning from menpo.transform import Translation from menpo.visualize.base import ImageViewe...
yuxiang-zhou/menpo
menpo/image/masked.py
Python
bsd-3-clause
60,116
[ "Gaussian" ]
77f5be015e2f59ade22f76ca821fd6b0fd57fd9bcf7675465c6d25564a030258
import gc import sys import unittest import weakref from test import support class FinalizationTest(unittest.TestCase): def test_frame_resurrect(self): # A generator frame can be resurrected by a generator's finalization. def gen(): nonlocal frame try: ...
Orav/kbengine
kbe/src/lib/python/Lib/test/test_generators.py
Python
lgpl-3.0
52,850
[ "VisIt" ]
3fe7ff3221c3e8d433945d779f201527f91a0a75dc46bbaca7e1ad1fc235d76f
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
Stargrazer82301/CAAPR
CAAPR/CAAPR_AstroMagic/PTS/pts/magic/sources/trainedfinder.py
Python
mit
20,607
[ "Galaxy" ]
e5b8a54fda6f7338695edb1e89aa2ca57ca4c7ba052b4da11344b5baf8ae159b
""" Bok-choy tests for the Studio Accessibility Feedback page. """ import ddt from common.test.acceptance.pages.studio.index import AccessibilityPage from common.test.acceptance.tests.helpers import AcceptanceTest @ddt.ddt class AccessibilityPageTest(AcceptanceTest): """ Test that a user can access the page ...
hastexo/edx-platform
common/test/acceptance/tests/studio/test_studio_accessibility_form.py
Python
agpl-3.0
2,577
[ "VisIt" ]
4201971af32d72bd4a29d5662954d239a526f9089cc3edb1ce7e43f3cf8fa43e
#!/usr/bin/env python # -*- coding: utf-8 -*- ################################################################################ # # ChemPy - A chemistry toolkit for Python # # Copyright (c) 2010 by Joshua W. Allen (jwallen@mit.edu) # # Permission is hereby granted, free of charge, to any person obtaining a # co...
chasquiwan/CoCoPy
modules/analysis/element.py
Python
mit
11,928
[ "ChemPy" ]
33a4066aa2d3567a5bd468ee8fa9c3114baa3fcaed7b036788a3d02cc4e0b3e6
######################################################################## # $HeadURL$ # File : WatchdogFactory.py # Author : Stuart Paterson ######################################################################## """ The Watchdog Factory instantiates a given Watchdog based on a quick determination of the local...
Sbalbp/DIRAC
WorkloadManagementSystem/JobWrapper/WatchdogFactory.py
Python
gpl-3.0
2,208
[ "DIRAC" ]
6da6bc34f62945a2a84f6797f9300dfca0e0377fb55881b061e14229c26f84c6
# -*- coding: utf-8 -*- """ Software Management Core Library This module provides the core library for Software Management. (c) 2015, 2016 - Jaguar Land Rover. Mozilla Public License 2.0 """ import dbus import traceback import settings import logging logger = logging.getLogger(settings.LOGGER) # enum implementati...
rstreif/genivi_software_management
common/swm.py
Python
mpl-2.0
3,421
[ "Jaguar" ]
2198c4a8142ae8df33b141a344c081496fbdd939187761e915e66af2dc49ed3b
""" Deep Deterministic Policy Gradients Make Actor and Critic subclasses of a NNet class? Not sure ... for now, I'll put everything here but that might take a lot. """ import gym import numpy as np import sys import tensorflow as tf import tensorflow.contrib.layers as layers import time from replay_buffer import Rep...
DanielTakeshi/rl_algorithms
ddpg/ddpg.py
Python
mit
17,541
[ "Gaussian" ]
7867e8d05936df58cff4f01c478fd3876d5f05a9eb4b48be207f7d2e728258e1
""" This script submits a test prodJobuction with filter """ # pylint: disable=wrong-import-position, protected-access import time import os import json from DIRAC.Core.Base.Script import Script Script.setUsageMessage("\n".join([__doc__.split("\n")[1], "Usage:", " %s test directory" % Script.scriptName])) Script.re...
DIRACGrid/DIRAC
tests/System/dirac-test-production.py
Python
gpl-3.0
4,516
[ "DIRAC" ]
843c361b82339882a658129c1a8b70a3e576f511502e97f16ea4cb4b9f84b19d
# $Id$ # # Copyright (C) 2002-2006 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """unit testing code...
rdkit/rdkit-orig
rdkit/Chem/Suppliers/UnitTestSDMolSupplier.py
Python
bsd-3-clause
4,271
[ "RDKit" ]
e904b38a242ce14af23dbd5bddc1a4b2b621a93d935084b1fdbb7a217449cdc7
# Visualize difference between KL(p,q) and KL(q,p) where p is a mix of two # 2d Gaussians, and q is a single 2d Gaussian # Author: animesh-007 import superimport import numpy as np import matplotlib.pyplot as plt from scipy.stats import multivariate_normal mu = np.array([[-1,-1],[1,1]]) Sigma = np.zeros((2,2,2)) ...
probml/pyprobml
scripts/KLfwdReverseMixGauss.py
Python
mit
1,402
[ "Gaussian" ]
d813b5ea346c06f17249f93480ed05ffc3b5891ee8760b21a57c39026cc4eb1d
#!/usr/bin/env python # coding: utf-8 # Distributions # ============================ # # Distributions are mostly useful when using samplers (which we'll see in the next tutorial on [solving the inverse problem](./solver.ipynb)) - but can also be useful to propagate any set of distributions (whether those be uncertai...
phoebe-project/phoebe2-docs
development/tutorials/distributions.py
Python
gpl-3.0
7,335
[ "Gaussian" ]
9253902bbe81339b43c7fdda7ef1d0e25e07d0b201737cc0ac52debce762f7a5
############################################################################## # Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
skosukhin/spack
var/spack/repos/builtin/packages/r-affyio/package.py
Python
lgpl-2.1
1,817
[ "Bioconductor" ]
ecf20ac81c7a5aa60aceff010e8a0ab26b5b43c52a65ecb57105fbbd0c482ab1
import logging import calendar import copy import dateutil import numpy import datetime from dimagi.ext.couchdbkit import Document, DocumentSchema, StringProperty, IntegerProperty, DateTimeProperty from casexml.apps.case.models import CommCareCase from corehq.apps.crud.models import AdminCRUDDocumentMixin from corehq.a...
qedsoftware/commcare-hq
corehq/apps/indicators/models.py
Python
bsd-3-clause
37,214
[ "VisIt" ]
94ccd21cfe336959a212f86a5d2b7367075253da735d1dc7d40ace969ce0bb29
# (c) 2016, Adrian Likins <alikins@redhat.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later vers...
rosmo/ansible
test/units/cli/test_galaxy.py
Python
gpl-3.0
19,876
[ "Galaxy" ]
2e45d8f19396f36bddaeab026f105bddaaaec7bdecbb85c2144bf162ddbec34a
"""Perform validation of final calls against known reference materials. Automates the process of checking pipeline results against known valid calls to identify discordant variants. This provides a baseline for ensuring the validity of pipeline updates and algorithm changes. """ import collections import contextlib im...
vladsaveliev/bcbio-nextgen
bcbio/variation/validate.py
Python
mit
34,989
[ "pysam" ]
58a23ee8321c9181d5816a6ae44e253bc223fa5166c5be28fb7b090aa95e0d69
# -*- coding: utf-8 -*- """ Cosmic Rays =========== This scripts derives simple cosmic ray statististics from Gaia BAM data. Note that the Gaia BAM data are binned 4 x 1 leading to pixel geometries that are 120 x 10 microns. One can derive a statistical correction to take into account the binning. Further corrections ...
sniemi/EuclidVisibleInstrument
analysis/analyseGaiaBAMCosmicRayData.py
Python
bsd-2-clause
19,247
[ "Gaussian" ]
0b8c7962e4291897886f201df64cf231a06ca7518e2c8d783a987120c86f4d58
# coding: utf-8 import scipy.stats import numpy as np from math import ceil from .. import img_as_float from ..restoration._denoise_cy import _denoise_bilateral, _denoise_tv_bregman from .._shared.utils import skimage_deprecation, warn import pywt def denoise_bilateral(image, win_size=None, sigma_color=None, sigma_sp...
rjeli/scikit-image
skimage/restoration/_denoise.py
Python
bsd-3-clause
21,667
[ "Gaussian" ]
91bce46ff75b0cee68c170c5ce08d5a9a61b64c577d406e85b5f61e49fdbf02f
"""Module for working with mBuild Compounds.""" __all__ = ["clone", "Compound", "Particle"] import itertools import os import tempfile from collections import OrderedDict from collections.abc import Iterable from copy import deepcopy from warnings import warn import ele import numpy as np from ele.element import Elem...
iModels/mbuild
mbuild/compound.py
Python
mit
90,955
[ "Amber", "LAMMPS", "MDTraj", "Open Babel", "OpenMM", "Pybel" ]
66e66a7a61afd8b7f1dc45cff12df328dd0f70ee360f9f97b59a7071462d4b84
# -*- coding: utf-8 -*- """ Created on Tue Oct 18 11:27:46 2016 @author: Maximilian N. Guenther Battcock Centre for Experimental Astrophysics, Cavendish Laboratory, JJ Thomson Avenue Cambridge CB3 0HE Email: mg719@cam.ac.uk """ #import warnings import numpy as np import matplotlib.pyplot as plt #from astropy.modeling...
DJArmstrong/autovet
Features/old/Centroiding/scripts/stacked_images.py
Python
gpl-3.0
12,874
[ "Gaussian" ]
7d65deb6bcc723a9e8f323d6a5c815df41a05cefc034c33847ec9f28c874b7a6
# # @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 #...
dgasmith/psi4
psi4/driver/diatomic.py
Python
lgpl-3.0
11,372
[ "Psi4" ]
987e31455b86c8ce73fcc0c76553669a13575938079412ffed4c552d37f616cc
#Using Scrapy with Selenium to scape a rendered page [Updated] from scrapy.contrib.spiders.init import InitSpider from scrapy.http import Request, FormRequest from scrapy.contrib.linkextractors.sgml import SgmlLinkExtractor from scrapy.contrib.spiders import CrawlSpider, Rule from scrapy.spider import BaseSpider...
InfiniteRandomVariable/hello-world
tutorial/tutorial/spiders/guardian1.py
Python
apache-2.0
3,894
[ "VisIt" ]
7b75fb13b56bcd8fb2913d8ccd21d1a9b3883d3212737fc45fc0111c762c7ba1
#!/usr/bin/env python ''' GAEUnit: Google App Engine Unit Test Framework Usage: 1. Put gaeunit.py into your application directory. Modify 'app.yaml' by adding the following mapping below the 'handlers:' section: - url: /test.* script: gaeunit.py 2. Write your own test cases by extending unittest.TestCas...
arjunsatyapal/lantern
demo1-test/gaeunit/gaeunit.py
Python
apache-2.0
21,847
[ "VisIt" ]
26a83927ffa4756d452519f5e9c07a8245f417f34a770a3a02bf40507d890cdd
#!/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...
kvar/ansible
lib/ansible/modules/network/avi/avi_ipaddrgroup.py
Python
gpl-3.0
4,996
[ "VisIt" ]
285fc4b4e72712ce433d34451d85ca759f6ee95aee7c744e98451b72ae15dcc6
# # This file is a part of KNOSSOS. # # (C) Copyright 2007-2011 # Max-Planck-Gesellschaft zur Foerderung der Wissenschaften e.V. # # KNOSSOS is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License version 2 of # the License as published by the Free So...
thorbenk/knossos-svn
tools/configknossos_ui.py
Python
gpl-2.0
7,997
[ "VisIt" ]
746d5723901e640bab0c65dc960f06004a2b519cc99d7b8b44064382afbc2500
#in this version i have removed the seq, as it serves no purpose for what i am doing now import math class Homolog: """This is a class that will hold the values that i wish to store about homologs""" #def __init__(self, Accession, Organism, Locus, Gene, Predicted_gene, Synonyms, Eval, Percent_ident, Bits_score...
reamdc1/gene_block_evolution_old
homolog2.py
Python
gpl-3.0
8,897
[ "BLAST" ]
253a595d561851dde3bd9d0e62df44588e38c4c2d82dff8a6884eeafd2fa134d
from __future__ import division, absolute_import, print_function import os import sys import types import re import warnings from numpy.core.numerictypes import issubclass_, issubsctype, issubdtype from numpy.core import ndarray, ufunc, asarray import numpy as np # getargspec and formatargspec were removed in Python...
gfyoung/numpy
numpy/lib/utils.py
Python
bsd-3-clause
36,308
[ "VisIt" ]
9a1b896f937560089c335a1681263efc2ec55600ece9604b353041ffafbff5ab
# Code from Chapter 6 of Machine Learning: An Algorithmic Perspective (2nd Edition) # by Stephen Marsland (http://stephenmonika.net) # You are free to use, change, or redistribute the code in any way you wish for # non-commercial purposes, but please maintain the name of the original author. # This code comes with no...
Anderson-Lab/anderson-lab.github.io
csc_466_2021_spring/MLCode/Ch6/kernelpca.py
Python
mit
2,005
[ "Gaussian" ]
6480f9358cfda861ac8f666a7c6f8ac380538c6ed5448956f45a41cda4aaea00
# # alm_opt.py # # This is an example to run ALM in the fitting mode. # import h5py from alm import ALM import numpy as np def get_inputs(num_snapshots): lavec = [[9.3329999969514006, 0.0000000000000000, 0.0000000000000000], [-4.6664999984757003, 8.0826150908799992, 0.0000000000000000], ...
ttadano/ALM
example/AlN/AlN-lasso.py
Python
mit
8,012
[ "CRYSTAL" ]
29e8dc88d90ff7ce92c4292397788991d3f81086cfbc4827ea54367b4d01afb7
# -*- coding: utf-8 -*- # Copyright (C) 2008 CSC Scientific Computing Ltd. # Please see the accompanying LICENSE file for further information. """This module defines an Overlap operator. The module defines an overlap operator and implements overlap-related functions. """ import sys import numpy as np from gpaw.uti...
robwarm/gpaw-symm
gpaw/overlap.py
Python
gpl-3.0
5,010
[ "GPAW" ]
a2185bf80f75bb89fed7f55b5b09ff83dd02fe6c1465e385b3e21809235f4dae
#!/usr/bin/env python3 # This file is part of SunlightDPD - a home for open source software # related to the dissipative particle dynamics (DPD) simulation # method. # Copyright (c) 2009-2018 Unilever UK Central Resources Ltd # (Registered in England & Wales, Company No 29140; Registered # Office: Unilever House, Bla...
patrickbwarren/SunlightHNC
urpm_oneoff.py
Python
gpl-2.0
8,872
[ "Gaussian" ]
1e990ccfa04653df99e9f9f77e78ef79176cfd75596faf2507946cae97b3dc80
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2014 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## 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 Foundati...
andrebellafronte/stoq
stoqlib/gui/test/test_workordersearch.py
Python
gpl-2.0
3,656
[ "VisIt" ]
adc45fb991d84bd48cb01a8873dc6fb4c1a3fb7dbb23e0b0156c51301d4e75fd
# # Copyright (C) 2013-2019 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...
KaiSzuttor/espresso
samples/gibbs_ensemble_socket.py
Python
gpl-3.0
14,928
[ "ESPResSo" ]
95877d6bb4db297b72ef3bcd45f5067f074042ec5cec8ac46eaa0a45288bfcd9
# 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 # ...
bp-kelley/rdkit
Contrib/mmpa/search_mmp_db.py
Python
bsd-3-clause
16,256
[ "RDKit" ]
4827791c1f7d940f841ee8aff39934694f24a12a1de2cab399a0d33744303f9b