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VISIT, VISIT_EDGE, POST_VISIT = range(3) def strongly_connected_components(graph): ''' Find strongly connected components in a graph using iterative depth-first search. Based on: http://code.activestate.com/recipes/578507-strongly-connected-components-of-a-directed-graph/ ''' identified =...
openvenues/libpostal
scripts/geodata/graph/scc.py
Python
mit
1,392
[ "VisIt" ]
97b9f9a95f7b06f3119427284b3f56ccdffd576785a044645f4709f2e4d3f37b
#encoding: utf-8 """ tools.stats -- Toolbox functions for computing statistics Exported namespace: bootstrap, smooth_pdf, integer_hist Written by Joe Monaco Center for Theoretical Neuroscience Copyright (c) 2007-2008 Columbia Unversity. All Rights Reserved. """ import os as _os import numpy as _N from sys import ...
jdmonaco/grid-remapping-model
src/tools/stats.py
Python
mit
3,643
[ "Gaussian" ]
e1b16e91e0ca11657591ff20ff803c968dd15473517578d3a93617f0fd5d2115
#!/usr/bin/env python # # ----------------------------------------------------------------------------- # Copyright (c) 2016 The Regents of the University of California # # This file is part of kevlar (http://github.com/dib-lab/kevlar) and is # licensed under the MIT license: see LICENSE. # ----------------------------...
dib-lab/kevlar
kevlar/__init__.py
Python
mit
4,870
[ "pysam" ]
2abb6b3811893a781308f91a103f4d25ea8dc367ce3e9ce8e361f81642a791af
from astroquery.simbad import Simbad from astropy.io import fits from astropy.wcs import WCS from astropy.stats import mad_std from astropy.table import Table from photutils import fit_2dgaussian, CircularAperture, CircularAnnulus, aperture_photometry, find_peaks import numpy as np import os import matplotlib.p...
CalebHarada/DCT-photometry
Junk/aperture_photometry.py
Python
mit
9,318
[ "Gaussian" ]
aaf5a2d46b1021d33d3cfd7b3b01cacfc1bfcba3dfb24ba1ec02902e0cdc2df4
#!/usr/bin/env python #----------------------------------------------------------------------------- # Copyright (c) 2013-2015, PyStan developers # # This file is licensed under Version 3.0 of the GNU General Public # License. See LICENSE for a text of the license. #----------------------------------------------------...
chmullig/pystan
setup.py
Python
gpl-3.0
8,501
[ "VisIt" ]
4c8e0540fb1bcee5479c642769064ab9ff545c8c4510cbb2b4154528fe32c065
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # oiddiscover - front end for openid discovery # Copyright (C) 2003-2014 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 Public...
heromod/migrid
mig/cgi-bin/oiddiscover.py
Python
gpl-2.0
1,175
[ "Brian" ]
b82ec80ab6ecfc438b12a502e70d50094fff1fcf6d8230538fc187fc922328a8
#!/usr/bin/env python # Copyright 2014-2021 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
sunqm/pyscf
pyscf/pbc/dft/cdft.py
Python
apache-2.0
4,779
[ "PySCF" ]
f570845a0b30656c07c7eb6e7b6ec70ac621bd2bd24947ccbcb29d695de57bb5
from base.twilltestcase import TwillTestCase from base.test_db_util import ( get_user, get_latest_history_for_user, get_latest_hda, ) admin_user = None class UploadData( TwillTestCase ): def test_0000_setup_upload_tests( self ): """ Configuring upload tests, setting admin_user ...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/test/functional/test_get_data.py
Python
gpl-3.0
29,277
[ "Galaxy" ]
4841ae56c405fe0429d6f890c3e14be662d7d4efbee6594445545022ede3f648
from __future__ import print_function import sys import random import os from builtins import range import time sys.path.insert(1, "../../../") import h2o from tests import pyunit_utils from h2o.estimators.random_forest import H2ORandomForestEstimator from h2o.grid.grid_search import H2OGridSearch class Test_rf_gri...
mathemage/h2o-3
h2o-py/dynamic_tests/testdir_algos/rf/pyunit_rf_gridsearch_over_all_params_large.py
Python
apache-2.0
19,516
[ "Gaussian" ]
79b29322b34c5fb513c0733fd7c2047f5bfa5f7facb420f4e06ae155866a1390
import os from urllib import request from pybel import BELGraph from pybel.dsl import * from pybel.language import Entity from pybel.io import from_json_file from pybel.examples import egf_graph from indra.statements import * from indra.sources import bel from indra.sources.bel import processor as pb from indra.sources...
pvtodorov/indra
indra/tests/test_pybel_api.py
Python
bsd-2-clause
26,279
[ "Pybel" ]
2fa8d970d201b10d53034b89894438f656f3eda30ce3cc4cc5116444c51ab25f
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Robert McGibbon # Contributors: # # MDTraj is free software: y...
marscher/mdtraj
MDTraj/utils/unitcell.py
Python
lgpl-2.1
6,646
[ "MDTraj" ]
af0ee111f668239cd3306151d23e7645771c9fdebf3e2da715b25378bca0471d
import ast from lenatu import _facts as facts import collections def _nodes_of_block(block): """ Returns nodes that define or execute the given block. """ def visit(node): if getattr(node, "executed_in", block) is block or getattr(node, "defined_block", None) is block: yield node ...
smurn/lenatu
lenatu/_scope.py
Python
mit
4,948
[ "VisIt" ]
49739d0f21b3d62864ad6f72240f98165768029948d611126f3f58402b8f39d1
from common import Modules, data_strings, load_yara_rules, PEParseModule, ModuleMetadata class vertexnet(PEParseModule): def __init__(self): md = ModuleMetadata( module_name="vertexnet", bot_name="VertexNet", description="General purpose malware", authors=["...
bwall/bamfdetect
BAMF_Detect/modules/vertexnet.py
Python
mit
2,546
[ "Brian" ]
799d335c155e2d9e3b3a93eb66be4e04876338428b29daa99318dd0515fd8632
# Copyright 2017 SAS Project 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 requ...
Wireless-Innovation-Forum/Spectrum-Access-System
src/harness/reference_models/propagation/itm/itm_test.py
Python
apache-2.0
12,660
[ "CRYSTAL" ]
77daee0d021d6af8edd9087f192e2e0bf5424fd500864f8edf25764f69de6f9f
#!/usr/bin/env python # Purdue CS530 - Introduction to Scientific Visualization # Fall 2013 # Simple example to illustrate the typical structure of the rendering # pipeline in VTK. Here, we draw a sphere and enter the interactive mode. # Our example needs the VTK Python package import vtk def render_demo(): # ...
saullocastro/pyNastran
pyNastran/gui/vtk_examples/extract_edges.py
Python
lgpl-3.0
3,743
[ "VTK" ]
3befa651aece731a10962448c298d3acfb84b429b505e30b72f90cf12c20440e
# Created by Ashkan Bigdeli 2016 # Annow.py # Main UI and calls for data processing # wx is external UI module import wx, os from src import pid_etr from time import strftime script_dir =os.path.dirname(__file__) class ManualWindow(wx.Frame): #for manual page display def __init__(self): ...
ashbig/Annow
annow_v1_0/Annow.py
Python
gpl-3.0
19,421
[ "BLAST" ]
c80b986c0f21807a526e84fb9123787afec9d48815e5ba979b5a874165da8351
# Author: Samuel Genheden samuel.genheden@gmail.com """ Program to make input to Gaussian for (R)ESPA calculations Examples -------- pdb2respa_inp.py mol1.pdb mol2.pdb pdb2respa_inp.py mol1.pdb -v ff03 -c -1 """ import sys import os import argparse import time import numpy as np from sgenlib import pdb if...
SGenheden/Scripts
Pdb/pdb2respa_inp.py
Python
mit
1,634
[ "Gaussian" ]
d998521490c73a44d580397b494e6ce2ad63021ffbb8f36073664356c289e761
import re import pytz import datetime as dt from collections import defaultdict import lxml.html from pupa.scrape import Scraper, Bill, VoteEvent from openstates.utils import LXMLMixin from .utils import (clean_text, house_get_actor_from_action, senate_get_actor_from_action) bill_types = { '...
votervoice/openstates
openstates/mo/bills.py
Python
gpl-3.0
24,779
[ "VisIt" ]
b5121b2669445f9b5a31702e816b3e5d6f9dde126e135c98cbee696c3ef52e0b
import decimal import gc import itertools import multiprocessing import weakref import sqlalchemy as sa from sqlalchemy import ForeignKey from sqlalchemy import inspect from sqlalchemy import Integer from sqlalchemy import MetaData from sqlalchemy import select from sqlalchemy import String from sqlalchemy import test...
sqlalchemy/sqlalchemy
test/aaa_profiling/test_memusage.py
Python
mit
45,650
[ "VisIt" ]
201dadd0bfad21685bfa49c91b5012c3d9f577d116e150d68d8297fa061ae025
# Orca # # Copyright 2005-2008 Sun Microsystems Inc. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This...
h4ck3rm1k3/orca-sonar
src/orca/debug.py
Python
lgpl-2.1
16,430
[ "ORCA" ]
46b6e7c66608844b62712fbb6cb3c4564f4aa60975b56fc3cbc12eead5c2d85f
import re import os import ast from .cli import CLI from .runner import Runner def _show(node): for name, val in ast.iter_fields(node): print("{name}: {val}".format(name=name, val=val)) class SetUpVisitor(ast.NodeVisitor): def __init__(self): self.packages = [] def append_testsuite(se...
srz-zumix/wandbox-api
wandbox/__python__.py
Python
mit
5,533
[ "VisIt" ]
306005b162daa8b39cfd48e02763953d92ab17c88cd8a8cfd922abd5aeb9047c
######################################################################### # crossComptOscillator.py --- # # Filename: crossComptOscillator.py # Author: Upinder S. Bhalla # Maintainer: # Created: Oct 12 16:26:05 2014 (+0530) # Version: # Last-Updated: May 15 2017 # By: # Update #: # URL: # Keyword...
BhallaLab/moose
moose-examples/snippets/cylinderMotor.py
Python
gpl-3.0
4,461
[ "MOOSE" ]
c7eccb493145d410a0b4741d95a4c59cb9606af6bc7a5d227bb96fb1d5724a23
# # Copyright (c) 2017 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
yashdsaraf/scancode-toolkit
tests/scancode/test_api.py
Python
apache-2.0
4,108
[ "VisIt" ]
6046f53ef236f7a0e0bedd3287225149e43eb688ac8a6c92c5c1f4cad80bea6f
import matplotlib matplotlib.use('Agg') from matplotlib.pyplot import * import localgroup import triangle import sklearn from sklearn import mixture import numpy as np import pickle import matplotlib.patches as mpatches save_path = "/afs/slac.stanford.edu/u/ki/mwillia1/Thesis/LocalGroupHaloProps/testplot/" # Inside t...
drphilmarshall/LocalGroupHaloProps
final_scripts/fingmm.py
Python
gpl-2.0
12,395
[ "Gaussian" ]
8a7444eece887c6cd1959d2038f5083e1edf5f63189e05c2c3ead05837246d10
import rdkit from rdkit import Chem from rdkit.Chem import AllChem from rdkit.Chem import Draw from rdkit.Chem.Draw import rdMolDraw2D from rdkit.Chem import rdDepictor from shapely import geometry import numpy as np from itertools import combinations import operator from timeit import default_timer as timer class Mo...
ldomic/lintools
lintools/molecule.py
Python
gpl-3.0
13,282
[ "RDKit" ]
48d4f6d6b895bf41cd9674e323d982e774e5abcd9b61b5945c27c8c641d91a6b
import os import platform import time import json import tempfile import random import string from pwd import getpwuid from sos.presets import (NO_PRESET, GENERIC_PRESETS, PRESETS_PATH, PresetDefaults, DESC, NOTE, OPTS) from sos.policies.package_managers import PackageManager from sos.utilitie...
sosreport/sos
sos/policies/__init__.py
Python
gpl-2.0
21,922
[ "VisIt" ]
3ac29f575671884f81b57bfc1759939e946d0577937f929669ac08f27232fe82
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatib...
MOA-2011/e2openplugin-OpenWebif
plugin/controllers/views/web/mediaplayerfindfile.py
Python
gpl-2.0
5,500
[ "VisIt" ]
7081495685e9023a13c450b49f2c5d30a78dc7c1328400fe0d6f449114f9fcab
#!/usr/bin/env python # Copyright 2014-2019 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/symm/Dmatrix.py
Python
apache-2.0
6,569
[ "PySCF" ]
b885298aae7bfdcb99edb9e5b8d0e15b1b8e841cbba976b462ffb7d7179ff58d
#!/usr/bin/env python # coding: utf-8 # # Hartree-Fock methods # # # ## Why Hartree-Fock? Derivation of Hartree-Fock equations in coordinate space # # Hartree-Fock (HF) theory is an algorithm for finding an approximative expression for the ground state of a given Hamiltonian. The basic ingredients are # * Define ...
CompPhysics/ComputationalPhysics2
doc/LectureNotes/_build/jupyter_execute/hartreefocktheory.py
Python
cc0-1.0
69,233
[ "DIRAC" ]
0d653d463fab22d7a9dc6a69390abac8fb65a480fbc92ad63af8df85e03a3025
#!/usr/bin/env python # # Copyright 2013-2015 Matthew Wall, Andrew Miles # See the file LICENSE.txt for your full rights. # # Thanks to Andrew Miles for figuring out how to read history records # and many station parameters. # Thanks to Sebastian John for the te923tool written in C (v0.6.1): # http://te923.fukz.org...
paolobenve/weewx
bin/weewx/drivers/te923.py
Python
gpl-3.0
99,426
[ "COLUMBUS" ]
7cccb97c89363378682606c5677f7921b0a78c50d98abbec4512bf61a01895f3
''' base64 ±àÂëÌåϵÓÃÓÚ½«ÈÎÒâ¶þ½øÖÆÊý¾Ýת»»Îª´¿Îı¾. Ëü½«Ò»¸ö 3 ×ֽڵĶþ½øÖÆ×Ö½Ú×éת»»Îª 4 ¸öÎı¾×Ö·û×é´¢´æ, ¶øÇҹ涨ֻÔÊÐíÒÔϼ¯ºÏÖеÄ×Ö·û³öÏÖ: ABCDEFGHIJKLMNOPQRSTUVWXYZ abcdefghijklmnopqrstuvwxyz 0123456789+/ ÁíÍâ, = ÓÃÓÚÌî³äÊý¾ÝÁ÷µÄĩβ. ÏÂÀý չʾÁËÈçºÎʹÓà encode ºÍ decode º¯Êý²Ù×÷Îļþ¶ÔÏó. ''' import base64 M...
iamweilee/pylearn
base64-example-1.py
Python
mit
657
[ "Brian" ]
315587f58a0589006aafb72c9aaa09dbbf3b2c9b87b4e91f33e1d3609e53f06f
""" plotter.py: plot functions of the results Copyright (C) 2017 Hanjie Pan 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. T...
hanjiepan/LEAP
plotter.py
Python
gpl-3.0
35,130
[ "DIRAC" ]
0d615f9ccc7545cb361840c872fc9b2d17a8f1dcf2da9cdcb565a6c5dd54c3be
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() cone = vtk.vtkConeSource() cone.SetHeight(3.0) cone.SetRadius(1.0) cone.SetResolution(10) coneMapper = vtk.vtkPolyDataMapper() coneMapper.SetInputConnection(cone.GetOutputPort()) # ...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Rendering/Core/Testing/Python/TestOpacity2.py
Python
gpl-3.0
2,727
[ "VTK" ]
c5cab511f0dc934790c18c6108911b22c8c7cd529e1c2981d069bf37606600a6
from setuptools import setup VERSION = '2.0.2' VERSION_TAG = 'v%s' % VERSION README_URL = ('https://github.com/briancline/crm114-python' '/blob/%s/README.md' % VERSION_TAG) setup( name='crm114', version=VERSION, author='Brian Cline', author_email='brian.cline@gmail.com', description=...
briancline/crm114-python
setup.py
Python
mit
1,333
[ "Brian" ]
1c2698c2bbaa7bbe1a3e99d5557069adcc3d41fb37a9a1705b9e0c045bb68aea
################################################################################ # # # Copyright (C) 2010-2017 The ESPResSo project # # ...
KonradBreitsprecher/espresso
doc/tutorials/06-active_matter/EXERCISES/enhanced_diffusion.py
Python
gpl-3.0
4,875
[ "ESPResSo" ]
2449413b2cf3ff276d398df6cec9df373885969fa1a3c970ad48f641ab5907b3
"""Translates Python code into Python's built-in AST. """ import ast from py2c.abc.worker import Worker from py2c.processing import ProcessingError from py2c.tree.visitors import RecursiveNodeTransformer from py2c.utils import get_temp_variable_name __all__ = ["SourceToASTTranslationError", "SourceToAST"] # -----...
pradyunsg/Py2C
py2c/processing/to_ast.py
Python
bsd-3-clause
1,431
[ "VisIt" ]
783b75a5a2b7a9c60f3c1309a6da60f12361c10e0c85d46874400f84ac21b02a
""" ============================= Generic SpectralModel wrapper ============================= .. moduleauthor:: Adam Ginsburg <adam.g.ginsburg@gmail.com> """ import numpy as np from pyspeckit.mpfit import mpfit,mpfitException from pyspeckit.spectrum.parinfo import ParinfoList,Parinfo import copy import matplotlib.cboo...
keflavich/pyspeckit-obsolete
pyspeckit/spectrum/models/model.py
Python
mit
39,132
[ "Gaussian" ]
c1a00eb5514d192248ad1b648aa46337b47413c8a045ef9adee56423790e83c7
# Copyright 2000 by Jeffrey Chang. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """ This module provides code to access resources at ExPASy over the WWW. http://www.expasy.ch...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/ExPASy/__init__.py
Python
gpl-2.0
4,374
[ "Biopython" ]
41f904c3418be47a5061ce29ca7a381b90a32d7a13e93044dcb152714323f159
import webapp2 import cgi import datetime import import_path from models.tracker.Identifiers import * from models.tracker.Visits import * class TrackHandler(webapp2.RequestHandler): def get(self): token = cgi.escape(self.request.get('t')) if token == None or len(token) == 0: self.response.out.write("no token...
cipicip/appengine
ccutilapp/handlers/tracker/TrackHandler.py
Python
apache-2.0
715
[ "VisIt" ]
6059f8cbb8486894f978ddb40550c90a09eb0a79826d1120316a33743ffb5e29
import os import tempfile import unittest from pyepw.epw import EPW class TestReadEPW(unittest.TestCase): def setUp(self): self.fd, self.path = tempfile.mkstemp() def tearDown(self): os.remove(self.path) def test_read_epw(self): epw = EPW() epw.read(r"tests/data/USA_CA_...
rbuffat/pyepw
tests/test_read.py
Python
apache-2.0
439
[ "EPW" ]
4d1f9827b23695fe1a8e42ee84fe6141f0fa5aae7fb222a84352d0b17ac46fbd
# Install third-party packages # Read/write files and directories import os # Read command line arguments import argparse # Numeric Python import numpy # Read JSON file format import json # Install imagaing packages import skimage from skimage import io # Ignore warnings so they won't be displayed import warnings warni...
ethanlarochelle/solaris-tools
CLI/cli_solaris_batch_export.py
Python
gpl-3.0
20,729
[ "CRYSTAL" ]
7fcd88825f0085ac75276a5617996da4bc98831720e9bb25b556365848fe2ab3
# -*- coding: utf-8 -*- import re import math #抽取一篇文档的特征(此处为不重复的单词) def getwords(doc): splitter=re.compile('\\W*') #根据非字母字符将文档拆分为单词 words=[s.lower() for s in splitter.split(doc) if len(s)>2 and len(s)<20] return dict([(w,1) for w in words]) #样本训练函数(省的每次都输入训练数据) def sampletrain(cl): cl...
Windriver/codelab
programming-collective-intelligence/docfilter/docclass.py
Python
apache-2.0
7,071
[ "CASINO" ]
5c1e7bdfe635557ea6697cf14e36371652df8b80c8d8e3f8cbeae386817f7158
# Copyright (c) 2013, Web Notes Technologies Pvt. Ltd. and Contributors # License: GNU General Public License v3. See license.txt from __future__ import unicode_literals import frappe from frappe.utils import add_days, getdate, cint from frappe import throw, _ from erpnext.utilities.transaction_base import Transacti...
gangadharkadam/sterp
erpnext/support/doctype/maintenance_schedule/maintenance_schedule.py
Python
agpl-3.0
9,700
[ "VisIt" ]
a1a5b326e7f8059858ff06199d3023cd38e631195d9a4adbb1ac0febd3452827
import theano.tensor as t from numpy.random import RandomState def addLoggingParams (parser) : '''Setup common logging and profiler options.''' parser.add_argument('--log', dest='logfile', type=str, default=None, help='Specify log output file.') parser.add_argument('--level', dest=...
mbojrab/playbox
trunk/modules/python/builder/args.py
Python
mit
6,964
[ "NEURON" ]
15eff6b5d47bd4724e2fa05a61f3782a3359a89c95b68910b995e6e78194980f
# -*- mode: python; indent-tabs-mode: nil; tab-width: 4 -*- # vim: set tabstop=4 shiftwidth=4 expandtab: # # Copyright (C) 2001-2005 Ichiro Fujinaga, Michael Droettboom, Karl MacMillan # 2007-2010 Christoph Dalitz and Uma Kompella # 2014 Christoph Dalitz # # This program is free softwa...
hsnr-gamera/gamera
gamera/plugins/threshold.py
Python
gpl-2.0
11,906
[ "Gaussian" ]
b7443fb76e1d6d102b0726cf5369413037b73ea93ce8ca57be67c1e4b4934ce7
import pyglet import socket import time import random #DONE: grab implementation #DONE: Startup display #DONE: battery system #DONE: life-support #DONE: reactor #TODO: death #Copyright 2014 Antonius Frie # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU Gener...
metaplinius/confederation
main.py
Python
gpl-3.0
22,951
[ "CRYSTAL" ]
4664a3ffe090444567a477d4edb8845698e9fd0c63aa16802952e236e7a83ade
############################ # General options/settings # ############################ PING_WAIT = 300 # Seconds PING_MIN_WAIT = 30 # How long !start has to wait after a !ping MINIMUM_WAIT = 60 EXTRA_WAIT = 20 MAXIMUM_WAITED = 3 # limit for amount of !wait's STATS_RATE_LIMIT = 15 VOTES_RATE_LIMIT = 15 ADMINS_RATE_LI...
Epithumia/pyIRCbot
settings/mascarade.py
Python
bsd-2-clause
17,931
[ "VisIt" ]
aec17b96ab3831cec05d9870ca9ba8aa5171d1967ae33d6d3c28759103854fe1
from aiida.orm import Code, DataFactory, WorkflowFactory from aiida.orm.workflow import Workflow from aiida.orm.calculation.inline import make_inline #from aiida.workflows.wf_gruneisen_pressure import WorkflowGruneisen #from aiida.workflows.wf_phonon import WorkflowPhonon #from aiida.orm.data.structure import Structur...
abelcarreras/aiida_extensions
workflows/wf_qha.py
Python
mit
48,077
[ "CRYSTAL", "phonopy", "pymatgen" ]
eea1363afdad4fbaaf44626fd64165b9091059d4c2ed74ee2e9cb5eb8931dba4
import threading import functools try: from Queue import Queue except ImportError: from queue import Queue from os import getenv from .client import JobClient from .client import InputCachingJobClient from .client import MessageJobClient from .client import MessageCLIJobClient from .interface import HttpPulsar...
jmchilton/pulsar
pulsar/client/manager.py
Python
apache-2.0
9,260
[ "Galaxy" ]
888605fbddc3e401d804861fd9576442e12e8991ecf0347226be276a703c835e
# Copyright 2005-2008 by Frank Kauff & Cymon J. Cox. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Linked list functionality for use in Bio.Nexus. Provides functionality of a...
zjuchenyuan/BioWeb
Lib/Bio/Nexus/Nodes.py
Python
mit
5,576
[ "Biopython" ]
243badbe8bb784f302cc9d078e6795b4981b0ab5504691cf5f9c40a23e21f2e1
# This file is part of Fedora Community. # Copyright (C) 2008-2010 Red Hat, Inc. # # This program is free software: you can redistribute it and/or modify # it under the terms of the GNU Affero General Public License as # published by the Free Software Foundation, either version 3 of the # License, or (at your option) ...
Fale/fedora-packages
fedoracommunity/widgets/flot.py
Python
agpl-3.0
3,776
[ "VisIt" ]
ff1acd1b2c04785a6d8db2308f1b7514f9e1288e692ee957b2f39d37607ff1ef
# Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Eric Larson <larson.eric.d@gmail.com> # Guillaume Favelier <guillaume.favelier@gmail.com> # # License: Simplified BSD import contextlib from functools import partial import os import sys import time import traceback import warnings import...
Teekuningas/mne-python
mne/viz/_brain/_timeviewer.py
Python
bsd-3-clause
46,789
[ "VTK" ]
ceefeece0fd9de8bcedb66f9aa074017dddecfca3e75930fbdcc37d15214bdbd
from __future__ import print_function """ The basic idea of this module is to provide the STEM class, which simulates STEM images from atomic configurations. Note that these simulations are very simplistic, they make the following assumptions. 1. Atoms do not lose/gain/share electrons 2. Atoms' electron clouds are sph...
CJ-Wright/pyIID
pyiid/experiments/stem/__init__.py
Python
bsd-3-clause
2,468
[ "ASE", "Gaussian" ]
6e7bd68ce06504cb1304218582a57504bcfbf46f31ed2efa315cf7b71b0d7e06
""" QAPI command marshaller generator Copyright IBM, Corp. 2011 Copyright (C) 2014-2018 Red Hat, Inc. Authors: Anthony Liguori <aliguori@us.ibm.com> Michael Roth <mdroth@linux.vnet.ibm.com> Markus Armbruster <armbru@redhat.com> This work is licensed under the terms of the GNU GPL, version 2. See the COPYING file ...
dslutz/qemu
scripts/qapi/commands.py
Python
gpl-2.0
7,790
[ "VisIt" ]
c6f217169398683fb40dd4b5ba5568dcc04a73ba31bb877fea086b6ba9ae6af4
""" DIRAC.WorkloadManagementSystem.Client package """ __RCSID__ = "$Id$"
fstagni/DIRAC
WorkloadManagementSystem/Client/__init__.py
Python
gpl-3.0
77
[ "DIRAC" ]
b0e58e1903cbdfae4f85c06136aef233c866a73609678eedf46a93500b4fc755
""" A collection of utility functions and classes. Originally, many (but not all) were from the Python Cookbook -- hence the name cbook. This module is safe to import from anywhere within matplotlib; it imports matplotlib only at runtime. """ from __future__ import (absolute_import, division, print_function, ...
rbalda/neural_ocr
env/lib/python2.7/site-packages/matplotlib/cbook.py
Python
mit
77,442
[ "Gaussian" ]
0bef506ff75b9c9d694a1c5024b6db7c9dbd686e47f8112a050ae4661cfb1e6d
import os from ase.structure import molecule from ase.io import read, write from ase.parallel import rank from gpaw import GPAW, restart import warnings # cmr calls all available methods in ase.atoms detected by the module inspect. # Therefore also deprecated methods are called - and we choose to silence those warni...
robwarm/gpaw-symm
gpaw/test/cmrtest/Li2_atomize.py
Python
gpl-3.0
10,201
[ "ASE", "GPAW" ]
37fb293c5b155b3a048b875739544bf6d5b2045644fc036e94d6c2e0f23510e8
# =============================================================================== # Copyright (C) 2010 Diego Duclos # # This file is part of eos. # # eos is free software: you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as published by # the Free Software Foundation, ...
Ebag333/Pyfa
eos/saveddata/fit.py
Python
gpl-3.0
51,862
[ "CRYSTAL" ]
12afaae004c13f262983f43f58a503644b162f2411485d65e76efd5a62370041
""" Module to set up run time parameters for Clawpack. The values set in the function setrun are then written out to data files that will be read in by the Fortran code. """ from __future__ import absolute_import import os import numpy as np #------------------------------ def setrun(claw_pkg='amrclaw'): #--------...
ForestClaw/forestclaw
applications/paper/transport_2d_annulus/setrun.py
Python
bsd-2-clause
10,831
[ "NetCDF" ]
bb2ae3397b6f813c61b9744001d33abd95ac7549178dde96731fbde4e4a9dc37
import cPickle as pickle from ase import * from ase import io from ase.dft.bee import BEEF_Ensemble from ase.optimize import QuasiNewton from ase.structure import molecule from ase.vibrations import Vibrations from ase.thermochemistry import IdealGasThermo from espresso import espresso from espresso.vibespresso import...
chemeng444/chemeng444.github.io
ASE/Adsorption/run_N2.py
Python
gpl-2.0
3,523
[ "ASE", "ESPResSo", "Quantum ESPRESSO" ]
3336ce1d456a97f23379e832e4c4e3db67593c4d6a0a381c1c6e5a358d3682ae
from __future__ import print_function from fabric.api import run, env from time import sleep from boto.exception import EC2ResponseError from .util import eval_template def attach_volumes(vm_launcher, options, format=False): """ """ volumes = options.get("volumes", []) if not volumes: return ...
chapmanb/cloudbiolinux
cloudbio/deploy/volume.py
Python
mit
8,821
[ "Galaxy" ]
e7503dcebb30849f5861e8ab7648bdbc5f15b9d529a04a223cbf3f73a3e856e0
#=== PHYSICS ========================================================================================= # 2D physics functions. # Authors: Tom De Smedt, Giorgio Olivero # License: BSD (see LICENSE.txt for details). # Copyright (c) 2008-2012 City In A Bottle (cityinabottle.org) # http://cityinabottle.org/nodebox # This ...
nodebox/nodebox-opengl
nodebox/graphics/physics.py
Python
bsd-3-clause
78,058
[ "VisIt" ]
50116e3aaa83d095e75b9ae33f22b71ccbb011f491b26fedf111f84424ab44e1
''' Program to run FEFF 8.4.175 calculation in cycle We need only determine the data folder with feff input files Program return chi dat files for each input file and calculate mean, median, std, max, min values of chi for all chi dat files author: Zhenia Syriany (Yevgen Syryanyy) e-mail: yuginboy@gmail.com Lic...
yuginboy/from_GULP_to_FEFF
feff/mainFEFF.py
Python
gpl-3.0
13,969
[ "FEFF" ]
d4adcd5e4e84a0ea3eef2f3c3283ffc8cfb3385bf6550bb6323ab7a936e4c944
# -*- coding: utf-8 -*- # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2003-2006 Donald N. Allingham # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Andrew I Baznikin # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU Ge...
Forage/Gramps
gramps/plugins/rel/rel_hu.py
Python
gpl-2.0
10,875
[ "Brian" ]
52c239118ceb9343290c232fcbb769e04669e0277d95fb04ed74a9dc6a9812ba
import numpy as np from ase import Atoms from ase.units import fs from ase.calculators.test import TestPotential from ase.calculators.emt import EMT from ase.md import VelocityVerlet from ase.io import PickleTrajectory, read from ase.optimize import QuasiNewton np.seterr(all='raise') a = Atoms('4X', masses=[...
grhawk/ASE
tools/ase/test/verlet.py
Python
gpl-2.0
868
[ "ASE" ]
e2a86f892eaf9d8dc851752d93fef158e0eaddec71df9c3038c8bb12517015d7
#!/usr/bin/env python3 """ Copyright 2017 Paul Willworth <ioscode@gmail.com> This file is part of Galaxy Harvester. Galaxy Harvester is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, either version 3 ...
pwillworth/galaxyharvester
html/updateFilters.py
Python
gpl-3.0
9,693
[ "Galaxy" ]
cfb4b258b67e89eca9bcb827bb43079f82a84b179e2317d5af5c0520a731460d
# Copyright 2012-2014 Brian May # # This file is part of python-tldap. # # python-tldap 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....
brianmay/python-tldap
tldap/backend/base.py
Python
gpl-3.0
8,635
[ "Brian" ]
8085a72386e3735577996492ca5dbbc534e25f9827fc04dcc9f9d3ba7673ef2d
"""Unit tests for /tenants/<id>/users/ endpoints.""" # Copyright 2015 Solinea, 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 # # Unle...
slashk/goldstone-server
goldstone/tenants/tests_user.py
Python
apache-2.0
34,229
[ "Amber" ]
ffe1332e49ba325af061bd5a0e91c3a266125e30c60082de005b73dac5d59e34
# -*- coding: utf-8 -*- """ Created on Sat Feb 11 16:55:10 2017 @author: Kirby Urner Grayham Forscutt constructs phrases that file by letter sum. Examples below. Sometimes add or subtract 'the' for plus/minus 33. intelligent infinity + the = 266 focus on visualising the angelic fleet habitation - the = 466 """ fro...
4dsolutions/Python5
numerology.py
Python
mit
2,065
[ "CRYSTAL" ]
d9517a89187d3a278b500b3aad71c3dc0148bcf9f97ef70b9b5b3b32ebaa0393
from django.conf import settings from django.conf.urls import url from django.conf.urls.static import static from django.contrib import admin from django.urls import include, path from django.views import defaults as default_views from django.views.i18n import JavaScriptCatalog from graphene_django.views import GraphQL...
jaywink/diaspora-hub
config/urls.py
Python
agpl-3.0
1,554
[ "VisIt" ]
7214f6fcc07029238b24242fc9615c0c993a6ba2a9a7e31858134e95caac9b06
# -insar.py- coding: utf-8 -*- """ Created on Fri Sep 3 10:46:50 2010 @author: bosmanoglu InSAR module. Includes functions for analyzing SAR interferometry with python. """ from numpy import * from pylab import * from basic import * import scipy from scipy import ndimage #scipy.pkgload('ndimage') from scipy import ...
bosmanoglu/adore-doris
lib/python/insar/__init__.py
Python
gpl-2.0
25,698
[ "Gaussian" ]
eceef6ec85beabb7ed4a7fd217f1316e045bf6e7c389ba6662dba8f99aebc9df
""" This file defines IAM resource static configuration parameters for CDK Constructs """ IAM_Role_List = { # Pattern # "cdk-id": "role-name" # Example: # "cdk-infra-editor": "cdk-poc-infra-editor", # "cdk-infra-viewer": "cdk-poc-infra-viewer", }
kubeflow/testing
aws/IaC/CDK/test-infra/config/static_config/IAM_Resources.py
Python
apache-2.0
269
[ "CDK" ]
9375513a98296d2eb354b234e0c7cf285b3c578ca45b0046e26c27621d66fe4f
""" This module exposes the BaseClient class, which serves as base for InnerRPCClient and TransferClient. """ from __future__ import absolute_import from __future__ import division from __future__ import print_function import time import _thread import DIRAC from DIRAC.Core.DISET.private.Protocols import gProtoc...
ic-hep/DIRAC
src/DIRAC/Core/DISET/private/BaseClient.py
Python
gpl-3.0
28,847
[ "DIRAC" ]
5f5eae69d79f6f6f79611f749c2eadff5d7882a3dfd3e6d8112e8f8280108838
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatib...
MOA-2011/enigma2-plugin-extensions-openwebif
plugin/controllers/views/web/recordnow.py
Python
gpl-2.0
5,222
[ "VisIt" ]
369134208c35d71266d00a305e29b233d5f74adc7ec92391bc0d4ab7877fecb8
# -*- coding: utf-8 -*- """ Created on Fri Jun 24 16:18:10 2016 http://mmcif.wwpdb.org/pdbx-mmcif-home-page.html @author: noel """ #from Bio.PDB import * import sys import Bio.PDB.MMCIF2Dict as mmcifD from Bio.PDB.MMCIFParser import * from Bio.PDB.Superimposer import Superimposer from Bio.PDB.Atom import Atom import pa...
noelcjr/EntropyMaxima
em/tools/Super_Structures.py
Python
gpl-3.0
78,633
[ "CHARMM", "CRYSTAL" ]
c01bb9ec7900d3c050f1b3cf7138b941a469242e8f65527a619a0cc5f9ad8ec5
#!/usr/bin/env python # # Wrapper script for starting the biopet-seattleseqkit JAR package # # This script is written for use with the Conda package manager and is copied # from the peptide-shaker wrapper. Only the parameters are changed. # (https://github.com/bioconda/bioconda-recipes/blob/master/recipes/peptide-shake...
matthdsm/bioconda-recipes
recipes/biopet-seattleseqkit/biopet-seattleseqkit.py
Python
mit
3,377
[ "Bioconda" ]
f76f5049c9b6a9be9db1c1fb5b16cd2a312dd3042e5f1af3fe13aa53dd8361bc
# coding=utf-8 # Copyright 2022 The Tensor2Robot 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 ...
google-research/tensor2robot
preprocessors/image_transformations.py
Python
apache-2.0
18,591
[ "Gaussian" ]
b1521d4b442738264c714e0ec6148536a9021be278aead53ae673b70e5360880
#!/usr/bin/env python # # This file is part of Buildbot. Buildbot 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, version 2. # # This program is distributed in the hope that it will be useful, but WITHOUT # A...
pmisik/buildbot
worker/setup.py
Python
gpl-2.0
6,318
[ "Brian" ]
564a8a1197ee1e2b75ec79301938bc65b75bf143412342110fdb19fd9bc6b501
import os,sys,inspect currentdir = os.path.dirname(os.path.abspath(inspect.getfile(inspect.currentframe()))) cqsdir = os.path.abspath(os.path.dirname(currentdir) + "/CQS") sys.path.insert(0,cqsdir) import logging import argparse import string import subprocess import pysam from LocusItem import LocusItem, readBedFil...
shengqh/ngsperl
lib/GATK4/getBackgroundCount.py
Python
apache-2.0
4,462
[ "pysam" ]
bd1e282a1bca719156fc0a8ba31382b82ed33f93fe536d794dc1f6a2b4d3ff4a
#!/usr/bin/env python # encoding: utf-8 import pytest from tbone.db.models import create_collection from tbone.resources import verbs, Resource from tbone.testing.clients import * from tbone.testing.fixtures import * from .resources import * @pytest.mark.asyncio @pytest.fixture(scope='function') async def load_accou...
475Cumulus/TBone
tests/resources/test_mongo_resources.py
Python
mit
14,933
[ "Brian" ]
ab23920a9f7036e860130e0cd6917ed430133e18249540a0228330e267bb8c2d
#!/usr/bin/env python # $Id: simpleExample.py 545 2012-01-18 06:10:03Z cvermilion $ #---------------------------------------------------------------------- # Copyright (c) 2010-12, Pierre-Antoine Delsart, Kurtis Geerlings, Joey Huston, # Brian Martin, and Christopher Vermilion # #-----------------------...
mickypaganini/SSI2016-jet-clustering
spartyjet-4.0.2_mac/examples_py/simpleExample.py
Python
mit
2,381
[ "Brian" ]
5e180819fa72ab3960f777fde439bcf8d1f384ffe36e638baf229047c40fe644
from __future__ import print_function, unicode_literals, division, absolute_import import numba import numpy as np from scipy.special import logsumexp from scipy.ndimage.filters import gaussian_filter from sklearn.neighbors import KernelDensity from sklearn.model_selection import BaseCrossValidator from sklearn.base ...
matthias-k/pysaliency
pysaliency/baseline_utils.py
Python
mit
14,811
[ "Gaussian" ]
c9647b7b55cdd702f45533849cd044920d15a4b45c990ece2b8909896f28587d
""" Module holding function(s) creating the pilot wrapper. This is a DIRAC-free module, so it could possibly be used also outside of DIRAC installations. The main client of this module is the SiteDirector, that invokes the functions here more or less like this:: pilotFiles = getPilotFiles() p...
petricm/DIRAC
WorkloadManagementSystem/Utilities/PilotWrapper.py
Python
gpl-3.0
7,685
[ "DIRAC" ]
e70b468080ed7ec8c49954dfeb555364020d63efaa09cdca4859e6888d685557
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import logging import numpy as np import time from pymatgen.core.structure import Structure from pymatgen.core.sites import PeriodicSite from monty.json import MSONable from scipy.spatial import Voronoi from ...
dongsenfo/pymatgen
pymatgen/analysis/chemenv/coordination_environments/voronoi.py
Python
mit
40,607
[ "pymatgen" ]
48d1f92fbecbd6019e1d939b3373914b307d6e093e67b01fa17e1da18b4274bc
# -*- coding: utf-8 -*- # Copyright (C) 2012, Almar Klein # # Visvis is distributed under the terms of the (new) BSD License. # The full license can be found in 'license.txt'. import numpy as np import visvis as vv import zlib, base64 # todo: parameterize; allow custum Gaussian blobs at specified positions. if Fals...
chiluf/visvis.dev
functions/peaks.py
Python
bsd-3-clause
13,421
[ "Gaussian", "MOE" ]
2e3455d2d5489a449cacbb47b0e1160bf2fc47fe76e720099b894b29a19493ae
## These are the mask bits in ANYMASK / ALLMASK. # # From: http://www.noao.edu/noao/staff/fvaldes/CPDocPrelim/PL201_3.html # 1 -- detector bad pixel InstCal # 1 -- detector bad pixel/no data Resampled # 1 -- No data Stacked # 2 -- saturated InstCal/Resampled ...
legacysurvey/pipeline
py/legacypipe/bits.py
Python
gpl-2.0
2,859
[ "Galaxy" ]
b6251b6ae854d85a1c735e1201ee4942bf7e959c996775e0394e0b66596ac16e
#-*- coding: utf-8 -*- # #### # 2006/02 Will Holcomb <wholcomb@gmail.com> # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any l...
alfa-jor/addon
plugin.video.alfa/lib/MultipartPostHandler.py
Python
gpl-3.0
4,984
[ "Brian" ]
09b43e4a7ac96cd5fb51fc2c8bc31dc71e75f2e8cb5429f58bcbe620950dff3d
"""Declare critical models for Hydroshare hs_core app.""" import copy import json import logging import os.path import re import unicodedata from uuid import uuid4 import arrow from dateutil import parser from django.conf import settings from django.contrib.auth.models import User, Group from django.contrib.contenttyp...
hydroshare/hydroshare
hs_core/models.py
Python
bsd-3-clause
207,265
[ "NetCDF" ]
598ede8b4bcf6e55b4f449e73e921af3bb37751fc2804842cf195ae39987ddbc
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module defines classes to represent the density of states, etc. """ import functools import warnings from typing import Dict, Optional import numpy as np from monty.json import MSONable from scipy.constants.codata i...
materialsproject/pymatgen
pymatgen/electronic_structure/dos.py
Python
mit
39,326
[ "DIRAC", "Gaussian", "VASP", "pymatgen" ]
b976225b1f584a8f312dd1e34b714100d10d49445b7381d85f79a0c139646702
from common2 import * # NAME IDEA -> pooling/random/sparse/distributed hebbian/horde/crowd/fragment/sample memory # FEATURES: # + boost (TODO vol?) # + noise # + dropout -- temporal disabling of neurons # + decay -- move from mem to vol # + negatives -- learning to avoid detecting some patterns # - prune -- if input ...
mobarski/sandbox
rsm/v9le/v2.py
Python
mit
5,289
[ "NEURON" ]
6ad0d342df384cc6daeaff3e83cf6a929ee2c9b33b39e410fe8a0709d98d9fe1
""" Tools for the instructor dashboard """ import dateutil import json from django.conf import settings from django.contrib.auth.models import User from django.http import HttpResponseBadRequest from django.utils.timezone import utc from django.utils.translation import ugettext as _ from courseware.models import Stud...
LICEF/edx-platform
lms/djangoapps/instructor/views/tools.py
Python
agpl-3.0
8,753
[ "VisIt" ]
8ce9b8a43abeddf8e176a9d1290f9f591074b64df0e90da2963388d38b49e6db
''' Deep Residual Learning for Image Recognition, http://arxiv.org/abs/1512.03385 an exmaple of deep residual network for cifar10 commands & setups: set following parameters in example/image-classification/train_model.py momentum = 0.9, wd = 0.0001, initializer = mx.init.Xavier(rnd_type="gaussian", factor_...
aaalgo/picpac
examples/mxnet/symbol_resnet-28-small.py
Python
bsd-2-clause
5,340
[ "Gaussian" ]
9cc63d0e766d9f37034977378a384d86bce24c142aff90377f0c1118917b5bb4
# Copyright (c) 2009-2021 The Regents of the University of Michigan # This file is part of the HOOMD-blue project, released under the BSD 3-Clause # License. """Implement BoxResize.""" from hoomd.operation import Updater from hoomd.box import Box from hoomd.data.parameterdicts import ParameterDict from hoomd.data.typ...
joaander/hoomd-blue
hoomd/update/box_resize.py
Python
bsd-3-clause
4,573
[ "HOOMD-blue" ]
56c329db4ed46de41ba1f0b069f9aed7d81ef0394e126e41b98fcb612db6ca0c
""" This class a wrapper around elasticsearch-py. It is used to query Elasticsearch instances. """ from datetime import datetime from datetime import timedelta import certifi import copy import functools import json try: from opensearchpy import OpenSearch as Elasticsearch from opensearch_dsl import Search, ...
DIRACGrid/DIRAC
src/DIRAC/Core/Utilities/ElasticSearchDB.py
Python
gpl-3.0
19,612
[ "DIRAC" ]
8537fd55fcd14d67fffa71a6df6106a269b2da50c4aabaa8691cb0f82c4d50cf
# # Differential evolution MCMC # # This file is part of PINTS (https://github.com/pints-team/pints/) which is # released under the BSD 3-clause license. See accompanying LICENSE.md for # copyright notice and full license details. # import pints import numpy as np import warnings class DifferentialEvolutionMCMC(pints...
martinjrobins/hobo
pints/_mcmc/_differential_evolution.py
Python
bsd-3-clause
11,031
[ "Gaussian" ]
77def2541f1aa7cae89000342c5385a9e2f06207912c3a14f4f38a6420de3c92
#!/Library/Frameworks/Python.framework/Versions/2.7/bin/python # USAGE: # PREAMBLE: import numpy as np import MDAnalysis import sys import os import matplotlib.pyplot as plt traj_file ='%s' %(sys.argv[1]) # ---------------------------------------- # VARIABLE DECLARATION base1 = 1 nbases = 15 #nbases = 3 #Nsteps ...
rbdavid/DNA_stacking_analysis
angles_binary.py
Python
mit
9,052
[ "MDAnalysis" ]
aaf26dc5bd24c213721622bf24ae410aa4e09edd734063bd21d63e0e1f760c33
from ase import Atoms from gpaw import GPAW from gpaw.tddft import TDDFT from gpaw.tddft.ehrenfest import EhrenfestVelocityVerlet import sys d = 4.5 atoms = Atoms('NaCl', [(0,0,0),(0,0,d)]) atoms.center(vacuum=4.5) d = 4.0 atoms.set_positions([(0,0,0),(0,0,d)]) atoms.center() gs_calc = GPAW(nbands=4, gpts=(64,64,96),...
qsnake/gpaw
gpaw/test/ehrenfest_nacl.py
Python
gpl-3.0
814
[ "ASE", "GPAW" ]
37249e01299da86266924cebf6ea5e44d410b79fd1f030aed21cb51de3df6012
# Mantid Repository : https://github.com/mantidproject/mantid # # Copyright &copy; 2018 ISIS Rutherford Appleton Laboratory UKRI, # NScD Oak Ridge National Laboratory, European Spallation Source # & Institut Laue - Langevin # SPDX - License - Identifier: GPL - 3.0 + from __future__ import (absolute_import, divi...
mganeva/mantid
scripts/test/AbinsLoadCRYSTALTest.py
Python
gpl-3.0
2,341
[ "CRYSTAL" ]
ac70207b8382043116f21b6e577b5cbec4823f8b71325e687aecb466f8c3ce6a
# -*- coding: utf-8 -*- """ Unit tests for instructor.api methods. """ # pylint: disable=E1111 import unittest import json import requests import datetime from urllib import quote from django.test import TestCase from nose.tools import raises from mock import Mock, patch, ANY from django.conf import settings from djang...
WatanabeYasumasa/edx-platform
lms/djangoapps/instructor/tests/test_api.py
Python
agpl-3.0
97,192
[ "VisIt" ]
7be0515173bfabbce8c7903e6e90d59f2c0933c2bd44acb187937ade53daa89e
""" End-to-end tests for the main LMS Dashboard (aka, Student Dashboard). """ from common.test.acceptance.fixtures.course import CourseFixture, XBlockFixtureDesc from common.test.acceptance.pages.common.auto_auth import AutoAuthPage from common.test.acceptance.pages.lms.dashboard import DashboardPage from common.test.a...
eduNEXT/edunext-platform
common/test/acceptance/tests/lms/test_lms_dashboard.py
Python
agpl-3.0
5,617
[ "VisIt" ]
58f8371c812aa759cd246b37152d952822c1533fd2b3062888656f1223a6451b