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""" HTML reader/writer for RichText """ # python imports import re from HTMLParser import HTMLParser from xml.sax.saxutils import escape # keepnote imports from rednotebook.gui.keepnote.gui.richtext.textbuffer_tools import \ iter_buffer_contents, \ buffer_contents_iter_to_offset, \ normalize_tags, \...
tomka/rednotebook
rednotebook/gui/keepnote/gui/richtext/richtext_html.py
Python
gpl-2.0
36,691
[ "VisIt" ]
364a47091797423ddf223488d0c554c1e9026643349899bf88e80bc33d6800e6
import pytest from json import load from GroupIBTIA import fetch_incidents_command, Client with open('test_data/example.json') as example: RAW_JSON = load(example) with open('test_data/results.json') as results: RESULTS = load(results) # Because of errors with markdown tables RESULTS.update({ 'osi/git_le...
demisto/content
Packs/GroupIB_ThreatIntelligenceAttribution/Integrations/GroupIBTIA/GroupIBTIA_test.py
Python
mit
7,954
[ "Amber" ]
2fa08971dfe1d39d2737d66baae258fa80817cb371e7eb2d2b0529b2fddde398
#!/usr/bin/env python # -*- coding: utf-8 -*- day_names = ( "Prometheus", "Hercules", "Orpheus", "Ulysses", "Lycurgus", "Romulus", "Numa", "Belus", "Sesostris", "Menu", "Cyrus", "Zoroaster", "The Druids", "Buddha", "Fuxi", "Laozi", "Mencius", "The...
mpercich/Calendarize
ios/dateparser/lib/python2.7/site-packages/convertdate/data/positivist.py
Python
mit
12,459
[ "COLUMBUS", "Dalton" ]
5c72b059c91fd34ea2c2d6cec038689e6ca5cffe1666a6a1ff787d54a9d5965d
""" The Matcher service provides an XMLRPC interface for matching jobs to pilots It uses a Matcher and a Limiter object that encapsulated the matching logic. It connects to JobDB, TaskQueueDB, and PilotAgentsDB. """ __RCSID__ = "$Id$" from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Core.Utilities.Thread...
arrabito/DIRAC
WorkloadManagementSystem/Service/MatcherHandler.py
Python
gpl-3.0
4,882
[ "DIRAC" ]
2bdb53b5c27aee1e46e85f76276b8f9297a7c99fde9db0a180aff3acf4ce6315
#!/usr/bin/env python3 # -*- coding: utf-8 -*- from parsimonious.grammar import Grammar from parsimonious.nodes import NodeVisitor import sys grammar = """ #grammar HTML document = (tag / anyword)* # document = (doctype / text / tag)* # tag = open_tag (text / tag)* close_tag open_t...
codeyash/plugins
PyPlugins/PhpParser/py/html.py
Python
apache-2.0
1,709
[ "VisIt" ]
1849b5662531bdec7cc078c02edd77b4267d926a1e7667c829da949aa4aef98d
""" Some utilities for FTS3... """ import json import datetime import random import threading from DIRAC.DataManagementSystem.Client.DataManager import DataManager from DIRAC.FrameworkSystem.Client.Logger import gLogger from DIRAC.Core.Utilities.Decorators import deprecated from DIRAC.Core.Utilities.ReturnValues impo...
fstagni/DIRAC
DataManagementSystem/private/FTS3Utilities.py
Python
gpl-3.0
9,882
[ "DIRAC" ]
cae5aa31f6e78d09052fec3cfdad8d38ac7211f8b0a880f411b4295ffbacc9b1
from forte.solvers import solver_factory, HF, CallbackHandler def test_hf_callback(): """Example of using a callback to localize HF MOs.""" xyz = """ H 0.0 0.0 0.0 H 0.0 0.0 1.0 H 0.0 0.0 2.0 H 0.0 0.0 3.0 symmetry c1 """ input = solver_factory(molecule=xyz, basis='sto-3g') st...
evangelistalab/forte
tests/pytest/hf/test_hf_callback.py
Python
lgpl-3.0
948
[ "Psi4" ]
6c24f28236d82fc9a056d7978ed63e02ee429075b834758ca4c6f0c564ee0c10
#!/usr/bin/env python3 """ Computer-based immigration office for Kanadia """ __author__ = 'Susan Sim' __author__ = 'Zhao' __email__ = "ses@drsusansim.org" __copyright__ = "2014 Susan Sim" __license__ = "MIT License" __status__ = "Prototype" # imports one per line import re import datetime import json def decide...
ZhaoH/inf1340_2014_asst2_Halie_Zhao
papers.py
Python
mit
7,417
[ "VisIt" ]
e04c6bd957be5b89626cf335be575cec34c957cced62d7d64cf13b070959d75f
from __future__ import division from __future__ import print_function import argparse from astropy.io import fits import json import numpy as np from numpy.polynomial import Polynomial import os from uuid import uuid4 from numina.array.display.polfit_residuals import polfit_residuals from numina.array.display.polfit_...
nicocardiel/xmegara
refine_master_wlcalib.py
Python
gpl-3.0
14,977
[ "Gaussian" ]
841e7e55c109a01654622575ec4aba233a021a3740e315cdac77adb3698edbf3
#!/usr/bin/python # coding: utf-8 # Ubuntu Tweak - PyGTK based desktop configuration tool # # Copyright (C) 2007-2008 TualatriX <tualatrix@gmail.com> # # Ubuntu Tweak 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 Found...
0x7E/ubuntu-tweak
ubuntutweak/admins/sourcecenter.py
Python
gpl-2.0
47,382
[ "VisIt" ]
28cc386cf8eab7d9736579979a181a4bc0a90fc44b59c2aa32a9cd41bc5a1825
from base64 import urlsafe_b64encode, urlsafe_b64decode import copy import datetime import sha import hmac import os import pickle import random import re import stat from string import lower, count import time from django.contrib.auth import authenticate, login, logout from django.contrib.auth.models import U...
hack4impact/Givology
mainSite/source/proj/giv/models.py
Python
mit
54,236
[ "VisIt" ]
99724722fb82d4a594886abbbe726fbd49c89ffc610dea26774f77891d37a9d4
# -*- coding: utf-8 -*- from __future__ import unicode_literals import random import urllib import json from google.appengine.api import urlfetch emoji_dic = { "happy": "😀", "winking": "😉", "kissing": "😗", "smirking": "😏", "crying": "😢", "woman": "👩", "peach": "🍑", "eggplant": "�...
ivanasamy/OGE-CSSI
dear-oge/OGE.py
Python
mit
4,056
[ "VisIt" ]
3cfff32a5137ca3486773dd47dc77b41a343e29d9f4997bc36ebd08b36a7db4b
from splinter import Browser from splinter import Browser class AbstractPage: url = "NO_URL_FOR_ABSTRACT_SCREEN" def load(self): self.browser = Browser() self.browser.visit(self.url) return self def close_page(self): self.browser.quit()
mbanje/ureport_uganda
functional_test/fixtures/abstract_page.py
Python
bsd-3-clause
286
[ "VisIt" ]
9b2fd53bc3283dc1176335f74b65fc8e34d55e830d6ab111749438e59a23548e
# $HeadURL$ __RCSID__ = "$Id$" import os import time import re import threading import zipfile import zlib import DIRAC from DIRAC.ConfigurationSystem.Client.ConfigurationData import gConfigurationData, ConfigurationData from DIRAC.ConfigurationSystem.private.Refresher import gRefresher from DIRAC.FrameworkSystem.Clie...
avedaee/DIRAC
ConfigurationSystem/private/ServiceInterface.py
Python
gpl-3.0
11,873
[ "DIRAC" ]
892d09d4ec7fd05f102114471361cc556b00b9a2794711963d9c1e09b1d1a801
from copy import deepcopy import numpy as np from numpy.polynomial.chebyshev import chebval from ..utils.smoothing import smoothspec from .constants import cosmo, lightspeed, jansky_cgs, to_cgs_at_10pc try: import fsps from sedpy.observate import getSED except(ImportError): pass __all__ = ["SSPBasis", "F...
bd-j/prospector
prospect/sources/ssp_basis.py
Python
mit
15,977
[ "Galaxy" ]
ef045c1bf00dfb718ba0c6f3a45740d993b18c332b87ff1d663b07d053c1a3cb
def endl(*args): """ endl(ostream s) -> ostream Insert a newline character into the given C++ stream @p s. This is a wrapper around the underlying C++ OStream method <code>endl</code>. It inserts a newline into the stream passed as argument. Additionally, it flushes buffered streams. ...
TheCoSMoCompany/biopredyn
Prototype/src/libsbml-5.10.0/docs/src/python-substitutions/libsbml.py
Python
bsd-3-clause
479,413
[ "Avogadro" ]
5072b8521607376bc2af252a75fed3610ff7ba53b3208c2281bef4a3f8f51635
#!/usr/bin/env python # -*- coding: utf-8 -*- """Classes and functions to simulate an Ornstein-Uhlenbeck process for the instantaneous growth rate See also -------- :mod:`tunacell.simu.base` for base classes to parameterize numerical simulations """ from __future__ import print_function from builtins import input #...
LeBarbouze/tunacell
tunacell/simu/ou.py
Python
mit
22,612
[ "DIRAC", "Gaussian" ]
7b65e4685938c9aaa423940514a6dc8e594d15968605073b6da9a04412f96141
# shelve.py - save/restore working directory state # # Copyright 2013 Facebook, Inc. # # This software may be used and distributed according to the terms of the # GNU General Public License version 2 or any later version. """save and restore changes to the working directory The "hg shelve" command saves changes made ...
ya790206/temp_hg
hgext/shelve.py
Python
gpl-2.0
25,713
[ "VisIt" ]
e0d1e573cbfb884c1445006c3abca5ee0c540de102b14a073b73e3f574c4706d
#!/usr/bin/env python ######################################################################## # File : dirac-admin-site-info # Author : Stuart Paterson ######################################################################## """ Print Configuration information for a given Site """ from __future__ import print_fu...
fstagni/DIRAC
Interfaces/scripts/dirac-admin-site-info.py
Python
gpl-3.0
1,179
[ "DIRAC" ]
c77f09bff1c451005de054a7054214e5831ef19dd61d951764f2cd5cacb48eb9
""" Spatial Error Models module """ __author__ = "Luc Anselin luc.anselin@asu.edu, \ Daniel Arribas-Bel darribas@asu.edu, \ Pedro V. Amaral pedro.amaral@asu.edu" import numpy as np from numpy import linalg as la import ols as OLS from pysal import lag_spatial from utils import power_expansion, set_end...
spreg-git/pysal
pysal/spreg/error_sp.py
Python
bsd-3-clause
45,973
[ "COLUMBUS" ]
f7e7ef67c54f5b81df48ca15cc1f105f6c62d9b1ee2c88111071ac97ddec7a49
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-dataflow-client
tests/unit/gapic/dataflow_v1beta3/test_messages_v1_beta3.py
Python
apache-2.0
56,970
[ "Octopus" ]
a70c4b8206b1af32531009cee4e030c3ed3af0d59e34c45faf141411f87d1085
import ddapp import math import textwrap import drc as lcmdrc import bot_core as lcmbotcore import vtkAll as vtk from ddapp import transformUtils from ddapp import visualization as vis from ddapp import objectmodel as om from ddapp import lcmUtils from ddapp import ik from ddapp import cameraview from ddapp import affo...
gizatt/director
src/python/ddapp/drivingplanner.py
Python
bsd-3-clause
68,779
[ "VTK" ]
e1aae6ab9523ad98dfca7f204ba2695d6e919294d4d70a017ec045fcc44dbc04
# 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 + # pylint: disable=too-many-branches from __f...
mganeva/mantid
Framework/PythonInterface/plugins/algorithms/BASISCrystalDiffraction.py
Python
gpl-3.0
26,717
[ "CRYSTAL" ]
c627a69a01bf31699d96001a05b104e6c313291afcdf31040a36b6eb6fce49c6
#!usr/bin/python import matplotlib.pyplot as plt import matplotlib.widgets as widgets from mpl_toolkits.mplot3d import Axes3D import numpy as np import e_field_gen as e_field import odeint_solve as ode import sys as sys import matplotlib.cm as col ELEC_MASS = 9.10938356E-31 ELEC_CHARGE = -1.60217662E-19 FU...
KavuriG/classical-calc-three-color
plot-all-paths/tester.py
Python
gpl-3.0
5,731
[ "Gaussian" ]
60c879df66ebecdaede8ca267507859f58f259b92753c0b41906cf49aefc35f9
import sys import pytest from gm_base.model_data import DataNode, Loader, NotificationHandler from gm_base.model_data.yaml.resolver import resolve_scalar_tag from ModelEditor.meconfig import MEConfig as cfg import testing.ModelEditor.mock.mock_config as mockcfg from gm_base.geomop_util import Position # TODO: origin...
GeoMop/GeoMop
testing/ModelEditor/data/test_data_node.py
Python
gpl-3.0
6,377
[ "VTK" ]
5cca155062ea5a7955f1f42e6ed6370b43ef85ecb309b65c211c7b8c75b143a5
from bayes_opt import BayesianOptimization # Example of how to use this bayesian optimization package. # Lets find the maximum of a simple quadratic function of two variables # We create the bayes_opt object and pass the function to be maximized # together with the parameters names and their bounds. bo = BayesianOptim...
ysasaki6023/NeuralNetworkStudy
examples/usage.py
Python
mit
1,879
[ "Gaussian" ]
62009f5811cfdca0279f0c29254f0f43e8c2c4ffcae75b200e370d66a944fb1a
# -*- coding: utf-8 -*- # Dioptas - GUI program for fast processing of 2D X-ray diffraction data # Principal author: Clemens Prescher (clemens.prescher@gmail.com) # Copyright (C) 2014-2019 GSECARS, University of Chicago, USA # Copyright (C) 2015-2018 Institute for Geology and Mineralogy, University of Cologne, Germany ...
erangre/Dioptas
dioptas/tests/unit_tests/test_PatternModel.py
Python
gpl-3.0
2,962
[ "Gaussian" ]
6f9412252bf60cb1e028473861c1a66c0076d88ef4066591fd0789ff5a1153b2
import numpy as np import imblearn.over_sampling import sklearn.preprocessing import astropy.convolution START = 6519 END = 6732 def air2vacuum(air_waves): '''Convert air wavelengths to vacuum wavelengths''' # http://www.astro.uu.se/valdwiki/Air-to-vacuum%20conversion vac_waves = np.zeros_like(air_waves)...
podondra/bt-spectraldl
notebooks/spectraldl/preprocessing.py
Python
gpl-3.0
1,684
[ "Gaussian" ]
7ae9ee2525650fbba0af0e52f45a6b85b64e9117b71f5e109a6f3f1fe7d421f8
""" Acceptance tests for Studio's Settings Details pages """ from datetime import datetime, timedelta from unittest import skip from .base_studio_test import StudioCourseTest from ...fixtures.config import ConfigModelFixture from ...fixtures.course import CourseFixture from ...pages.studio.settings import SettingsPage...
inares/edx-platform
common/test/acceptance/tests/studio/test_studio_settings_details.py
Python
agpl-3.0
9,782
[ "VisIt" ]
8617ac0ab3679029c65b9bf7c4a8c5fcf1a7f3aefcc400f3a2204936575196b3
# Copyright 2013-2014 Mitchell Stanton-Cook Licensed under the # Educational Community 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.osedu.org/licenses/ECL-2.0 # # Unless required by ...
BeatsonLab-MicrobialGenomics/SeqFindR
SeqFindr/blast.py
Python
apache-2.0
6,984
[ "BLAST" ]
5a29540ab3c9bf29b5320369d6fe5d736afcacfb276fd5f7465ccf5df984f436
# -*- coding: utf-8 -*- """test email sending""" from unittest import skipIf from django.conf import settings from django.test.utils import override_settings from django.urls import reverse from coop_cms.models import Newsletter from coop_cms.settings import is_localized, is_multilang from coop_cms.tests import Base...
ljean/coop_cms
coop_cms/apps/newsletters/tests/test_view_online.py
Python
bsd-3-clause
8,054
[ "VisIt" ]
84bbb3e3dd74835a6db6668836acbf3cbef0301d9493db99783437af8a6ebfcc
# This file is part of the myhdl library, a Python package for using # Python as a Hardware Description Language. # # Copyright (C) 2003-2008 Jan Decaluwe # # The myhdl 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 t...
DeadBugEngineering/myHDL_shenanigans
ssd1306_8x64bit_driver/myhdl_10dev/lib/python2.7/site-packages/myhdl-1.0.dev0-py2.7.egg/myhdl/_instance.py
Python
lgpl-2.1
3,993
[ "VisIt" ]
960629d44c884b0c9580b1091304f4d25b64ceb2989acf520a34c567a361436b
# Copyright (C) 2002, Thomas Hamelryck (thamelry@binf.ku.dk) # 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. """ Base class for Residue, Chain, Model and Structure classes. It is a simple container ...
poojavade/Genomics_Docker
Dockerfiles/gedlab-khmer-filter-abund/pymodules/python2.7/lib/python/Bio/PDB/Entity.py
Python
apache-2.0
8,749
[ "Biopython" ]
4b0464bdd09e629452790fd09804e22ab063e8a7368db470309eb94f699bf299
#!/usr/bin/env python2.7 # Copyright 2014 Virantha Ekanayake 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 ...
virantha/scanpdf
scanpdf/scanpdf.py
Python
apache-2.0
18,680
[ "ADF" ]
64c33ce6b1372fe8f32f8d9da9e37fdf690f0b8fb2a5d785ebef6b3ec157d199
from flask import flash from flask.ext.login import current_user from octopus.models import CaseStaffMap, User __author__ = 'MartinoW' def create_query(args, q): conditions = [] joins = set() valid = True user_id = args.get('user_id') if user_id: if user_id == "me": user = User.get_by_id(curren...
quaintm/octopus
octopus/case/utils.py
Python
bsd-3-clause
629
[ "Octopus" ]
c0d4ccc730839d2afc9dd1f300e2986ce21431ddd44feda5936108d13c4ebc1f
import re from cfnviz.model import Parameter from cfnviz.model import Mapping from cfnviz.model import Condition from cfnviz.model import Output from cfnviz.model import Attribute from cfnviz.model import Edge from cfnviz.model import Model def visit(value, fn, context={"path": []}): path = context.get("path") ...
devquixote/cfnviz
cfnviz/factories.py
Python
mit
6,899
[ "VisIt" ]
33a0e8319691651f06f271638f5c9c2afae088c4d170a63e7963c7b6c7b5274a
""" ==================================== Outlier detection on a real data set ==================================== This example illustrates the need for robust covariance estimation on a real data set. It is useful both for outlier detection and for a better understanding of the data structure. We selected two sets o...
glemaitre/scikit-learn
examples/applications/plot_outlier_detection_wine.py
Python
bsd-3-clause
5,819
[ "Gaussian" ]
3715b450f94b3b9dacd369b16b8c4272ac492e60b34869cc741bf03d161ffed4
# # Copyright (c) 2015 nexB Inc. and others. All rights reserved. # http://nexb.com and https://github.com/nexB/scancode-toolkit/ # The ScanCode software is licensed under the Apache License version 2.0. # Data generated with ScanCode require an acknowledgment. # ScanCode is a trademark of nexB Inc. # # You may not use...
ened/scancode-toolkit
src/scancode/__init__.py
Python
apache-2.0
1,380
[ "VisIt" ]
e15257c0c52cee9e12bb94ba9e7e91fe41b1d92c4b2162e81817439df28d0d49
import tensorflow as tf import numpy as np from skimage.segmentation import felzenszwalb as skimage_felzenszwalb SCALE = 1.0 SIGMA = 0.0 MIN_SIZE = 20 def felzenszwalb(image, scale=SCALE, sigma=SIGMA, min_size=MIN_SIZE): """Computes Felsenszwalb's efficient graph based image segmentation. Args: ima...
rusty1s/graph-based-image-classification
segmentation/algorithm/felzenszwalb.py
Python
mit
2,086
[ "Gaussian" ]
65265c802c2e233255c5cd34aa6716ec29d9d6e3cf31290d970cbdd70868cc36
#!/usr/local/bin/env python #============================================================================================= # MODULE DOCSTRING #============================================================================================= """ Test a variety of custom integrators. DESCRIPTION TODO COPYRIGHT AND LICE...
choderalab/YankTools
testsystems/test_custom_integrators.py
Python
gpl-2.0
31,219
[ "Gaussian", "OpenMM" ]
29e3dce498ce1c3949bf339e2fa1765bd4ef0c26c8584713aa21f7fec9896750
""" Example to generate a .fit, .mod and .dat file to feed in MrMoose for demonstration. The model consists of a double power-law and and a break frequency six data points from a source at z=4, but will be fitted as a free parameter """ import sys # adding the path sys.path.insert(0, '/Users/guillaume/Desktop/MrMoose...
gdrouart/MrMoose
examples/example_1cz.py
Python
gpl-3.0
3,478
[ "Gaussian" ]
75191677b57edfe0837bf45a588f7bc91c6926f8664ac0330da06afa2b725ca0
# Copyright (C) 2014 Pierre de Buyl # Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or ...
acfogarty/espressopp
src/analysis/TotalVelocity.py
Python
gpl-3.0
2,655
[ "ESPResSo" ]
7f6d91ef253c7c2c8e5bb9041bb3a3544e08812e2e016657b4a48d425ea6bb45
#!/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/grad/__init__.py
Python
apache-2.0
1,723
[ "PySCF" ]
c5dcaf61e68a8744a4db538eaa84b34e1aa22cc55ae5abc37058005992bb4d80
import cdms2 import os, sys from harmonic_util import harmonic # setting the absolute path of the previous directory # getting the this py module path by __file__ variable # pass that __file__ to the os.path.dirname, returns the path of this module __curDir__ = os.path.dirname(__file__) previousDir = os.path.abspath(os...
arulalant/mmDiagnosis
diagnosis1/miso/harmonic/cal_harmonic_climatology.py
Python
gpl-3.0
2,875
[ "NetCDF" ]
bd18fcf2f15f6cfc977682a44e08031f3915525172fc2d89ac13e4706b1864fb
import numpy as np from ase import Atoms, Atom a = Atoms([Atom('Cu')]) a.positions[:] += 1.0 print(a.get_positions(), a.positions) a=a+a a+=a a.append(Atom('C')) a += Atoms([]) a += Atom('H', magmom=1) print(a.get_initial_magnetic_moments()) print(a[0].number) print(a[[0,1]].get_atomic_numbers()) print(a[np.array([1,1...
suttond/MODOI
ase/test/build.py
Python
lgpl-3.0
509
[ "ASE" ]
c5833bc9d4fc17590caa668371c04b0473e405f39b556471a9f754cb0ddf00c3
""" Gaussian Mixture Models. This implementation corresponds to frequentist (non-Bayesian) formulation of Gaussian Mixture Models. """ # Author: Ron Weiss <ronweiss@gmail.com> # Fabian Pedregosa <fabian.pedregosa@inria.fr> # Bertrand Thirion <bertrand.thirion@inria.fr> import warnings import numpy as...
ssaeger/scikit-learn
sklearn/mixture/gmm.py
Python
bsd-3-clause
30,702
[ "Gaussian" ]
e440c09286574d29490f9f8430ba67e68b612a63f5c8969907c704f1fe4e1121
# # 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/licensedcode/test_query.py
Python
apache-2.0
30,761
[ "VisIt" ]
e40b94291d06f71c02d479ccf452e121c607891f9b716b122da08d65605b9bea
from jinja2 import Template import os class ConfigBcbio(object): def __init__(self): # some runs from ERP002442 study # normal, cancer self.list_of_runs = [('ERR256781', 'normal'), ('ERR256782', 'cancer'), ('ERR256783', 'normal'), ('ERR...
kern3020/incubator
cancer-normal-setup/generate_conf.py
Python
mit
1,760
[ "BWA" ]
f66da6f75babacc268bab1f61aa9c8b8705cbc4dfbe218aa14a847c36bce342a
#-*- coding: utf-8 -*- ''' GATK-based variant calling pipeline It implements a workflow pipeline for next generation sequencing variant detection using the Broad Institute's GATK for variant calling. The pipeline is configured by an options file in a python file including the actual command which are run at each sta...
marcelcaraciolo/nextgen-pipeline
pipeline.py
Python
mit
11,293
[ "BWA" ]
39ca639b32a87bab180db11b6a30ad0e44e4a70eb5b7b196abdfe3a589ccec4e
#!/usr/bin/env python from numpy import deg2rad, rad2deg from traits.api import HasTraits, Range, Instance, \ on_trait_change, Float, Property, File, Bool, Button from traitsui.api import \ View, Item, VSplit, VGroup, HSplit, HGroup, Group, Label from mayavi.core.ui.api import MayaviScene, MlabSceneM...
chrisdembia/yeadon
yeadon/gui.py
Python
bsd-3-clause
17,580
[ "Mayavi" ]
dda67caa69e6e151e47ec8e2cdbafd0ab8427fd6e5d652ec9177f968ac97fac0
"""Command-line interface for crowdastro. Matthew Alger The Australian National University 2016 """ import argparse import logging import sys from crowdastro import __description__ from crowdastro import __version__ from crowdastro import compile_cnn from crowdastro import consensuses from crowdastro import generate...
chengsoonong/crowdastro
crowdastro/__main__.py
Python
mit
4,138
[ "Galaxy" ]
0e55f02934e0bb1fb2e9442a2faa8c533116521b8ed59449bda8320924ef8624
from build.management.commands.base_build import Command as BaseBuild from django.conf import settings from protein.models import Protein, ProteinSegment, ProteinConformation, ProteinState, ProteinFamily from structure.models import Structure, Rotamer from structure.functions import BlastSearch from Bio.Blast import NC...
protwis/protwis
protein/management/commands/blastp.py
Python
apache-2.0
2,860
[ "BLAST" ]
5039f05de929ea269aac2e3f4b117feb2c65e6d136bdb7918cf54d5032800b49
# # Copyright 2018 Analytics Zoo 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...
intel-analytics/analytics-zoo
pyzoo/zoo/orca/learn/pytorch/pytorch_ray_estimator.py
Python
apache-2.0
17,478
[ "ORCA" ]
f0952ed54b5d2d0483ae3a3fff2d74b4e03913635b20c127636b343a37424a4e
""" Histogram-related functions """ import contextlib import functools import operator import warnings import numpy as np from numpy.core import overrides __all__ = ['histogram', 'histogramdd', 'histogram_bin_edges'] array_function_dispatch = functools.partial( overrides.array_function_dispatch, module='numpy') ...
WarrenWeckesser/numpy
numpy/lib/histograms.py
Python
bsd-3-clause
39,865
[ "Gaussian" ]
060184fbc835d1b041b8fd9571c55aa8fbf607bb44aa89814ffe6684e884cec9
# -*- coding: utf-8 -*- # ----------------------------------------------------------------------- # Copyright (c) 2009 Jendrik Seipp # # RedNotebook 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 vers...
pakesson/rednotebook
rednotebook/info.py
Python
gpl-2.0
26,888
[ "Brian", "VisIt" ]
4408aeeb24d459b4aa3f7d77225dce566e33154c26d6604bbf858619641848a2
""" Manage Telemetry alert configurations ===================================== .. versionadded:: 2016.3.0 Create, Update and destroy Mongo Telemetry alert configurations. This module uses requests, which can be installed via package, or pip. This module accepts explicit credential (telemetry api key) or can also r...
saltstack/salt
salt/states/telemetry_alert.py
Python
apache-2.0
7,205
[ "ORCA" ]
da7d46f8a66e55c7fc80f0527a3f6dd43a274abc68540a7215dd7eea9a44bde2
#!/usr/bin/env py27 from ecmwfapi import ECMWFDataServer import numpy as np import datetime as dt import calendar server = ECMWFDataServer() dir = "/automount/agh/Projects/skiefer/" # date_first_start = dt.date(1958, 1, 1) # date_first_end = dt.date(1958, 1, 31) # date_last_end = dt.date(1978, 12, 1) # date_last_...
sebaki/clim-jet-stream
01-code/01-ecmwf-py/b-get-era-int-daily-by-year.py
Python
mit
1,239
[ "NetCDF" ]
7f4b8394e9b8475b45b8091d5b1b5e3af3d97f04df4c13082cabacb224ebd7f7
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Copyright 2010 British Broadcasting Corporation and Kamaelia Contributors(1) # # (1) Kamaelia Contributors are listed in the AUTHORS file and at # http://www.kamaelia.org/AUTHORS - please extend this file, # not this notice. # # Licensed under the Apache License...
sparkslabs/kamaelia
Sketches/MPS/BugReports/FixTests/Kamaelia/Kamaelia/UI/Pygame/VideoSurface.py
Python
apache-2.0
9,230
[ "DIRAC" ]
54b8491a464c9ee8fc87b5d0a843242a360e5040c66bef14794e594fc36c46b8
# -*- coding: utf-8 -*- # # conncomp.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 2 of the License, or # ...
tobikausk/nest-simulator
topology/examples/conncomp.py
Python
gpl-2.0
4,303
[ "NEURON" ]
a6b119383a968a761a117995929a512a2220796bb5c92f04e71d48bff2af2ed7
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
nuclear-wizard/moose
python/MooseDocs/test/base/test_lexers.py
Python
lgpl-2.1
5,154
[ "MOOSE" ]
e93d78b49e4ffd85c5fe8bc1cc91ac1afe874a8b283db3b0b41e6a1793cc348a
# # 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...
psci2195/espresso-ffans
testsuite/python/p3m_gpu.py
Python
gpl-3.0
1,621
[ "ESPResSo" ]
b6c033757af26dcdf58764ae46d06113eaa43de9a3b915f85e563e9a02ad71a0
# # Copyright (c) 2009-2015, Jack Poulson # All rights reserved. # # This file is part of Elemental and is under the BSD 2-Clause License, # which can be found in the LICENSE file in the root directory, or at # http://opensource.org/licenses/BSD-2-Clause # import El import time m = 1000 n = 2000 k = 1500 testMe...
justusc/Elemental
examples/interface/QPAffineDense.py
Python
bsd-3-clause
3,907
[ "Gaussian" ]
b17c723bfa4d60d06489a277a3e9f291771a0b7f496f08d3e95c0c4a82949997
import unittest from pyaria2 import PyAria2 from random import choice from time import sleep import os import shutil ENABLE_LONG_TESTS = False ENABLE_VERY_LONG_TESTS = False def setUpModule(): try: os.mkdir("tests/trash") except OSError: pass def tearDownModule(): ...
alfateam123/pyaria2
tests/test_pyaria2.py
Python
mit
2,870
[ "MOE" ]
7533fc72a01234cf69ce6dbb063a5f5b2572c7ad0ed0c16a5091543dada74a75
# Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free software: you can redistribute it and/or modify # it under the terms of t...
kkreis/espressopp
src/tools/analyse.py
Python
gpl-3.0
2,918
[ "ESPResSo" ]
04e45ab9357c3b7d840cb58f78e82d6696f5894f8c98a668847f0c36fdd38f81
# Copyright 2012 Patrick Varilly, Stefano Angioletti-Uberti # # 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...
patvarilly/DNACC
dnacc/units.py
Python
gpl-3.0
7,113
[ "Gromacs" ]
7a82b3cdbcbeb74e0435d243b0ebc7ed87e15bc9a04d9a8473e41d6a7067a895
# # Copyright (c) 2009-2015, Jack Poulson # All rights reserved. # # This file is part of Elemental and is under the BSD 2-Clause License, # which can be found in the LICENSE file in the root directory, or at # http://opensource.org/licenses/BSD-2-Clause # import El m = 2000 n = 4000 testMehrotra = True testIPF...
birm/Elemental
examples/interface/LPDirect.py
Python
bsd-3-clause
3,471
[ "Gaussian" ]
0da09b6defe420afcf655ae32961d29a22cbf82129eec8a381a44ae425c5a006
''' Arthur Glowacki APS ANL 10/17/2014 ''' import vtk from Model import Model from random import random class CubeModel(Model): def __init__(self): Model.__init__(self) self.source = vtk.vtkCubeSource() self.source.SetCenter(0.0, 0.0, 0.0) self.source.SetXLength(1.0) self.source.SetYLength(1.0) self.sour...
aglowacki/ScanSimulator
PrimitiveModels.py
Python
gpl-2.0
1,340
[ "VTK" ]
8dbbf19f3d86e416de37fe5f7efbb4482059a9a96f8766c82d207f76c3e43cef
symbols = [ ["Lower-case Greek", 5, r"""\alpha \beta \gamma \chi \delta \epsilon \eta \iota \kappa \lambda \mu \nu \omega \phi \pi \psi \rho \sigma \tau \theta \upsilon \xi \zeta \digamma \varepsilon \varkappa \varphi \varpi \varrho \varsigma \vartheta"""], ["Upper-case Gree...
M-R-Houghton/euroscipy_2015
stats/_sphinxext/math_symbol_table.py
Python
mit
7,432
[ "Bowtie" ]
813deaaf3d2eb277de295cb150a4b8d1e347d342e43c3df31d8187c7f94fe25c
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, sys, glob, string import zipfile from datetime import date try: import json except: import simplejson as json cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','versi...
benbahrenburg/benCoding.SMS
build.py
Python
apache-2.0
6,402
[ "VisIt" ]
286654d5dbf933a79307fe922d684b3926fc027e8163e1933b0828bfe6f90481
"""riboSeqR Galaxy unit tests""" import unittest from riboseqr import utils class PrepareTestCase(unittest.TestCase): def test_process_args(self): """Test processing arguments. """ # "ATG" -> c("ATG") rs = utils.process_args('ATG', ret_mode='charvector') self.assertEqual(rs, 'c("A...
vimalkvn/riboseqr_wrapper
tests/test_riboseqr.py
Python
gpl-2.0
2,326
[ "Galaxy" ]
5dcd0e18a12721c8f9b5cea53ed96b10e7a72c31bb200f2cc36d8fdc3999c575
#!/usr/bin/env python # (c) 2012, Jan-Piet Mens <jpmens () gmail.com> # # This file is part of Ansible # # Modified to support stand-alone Galaxy documentation # Copyright (c) 2014, Juniper Networks Inc. # 2014, Rick Sherman # # Ansible is free software: you can redistribute it and/or modify # it under th...
lamoni/ansible-junos-stdlib
docs/ansible2rst.py
Python
apache-2.0
6,013
[ "Galaxy" ]
813ea9743d80a1821681f66dd51e5ec18039d61c4598eaf4e6ee0c17f2f5a8d4
#!/usr/bin/env python3 ######################################################################## # Solving this with Biopython, because I might as well get used to # the libraries here. from Bio.SeqUtils.ProtParam import ProteinAnalysis import sys if __name__=="__main__": print("The Biopython values are differen...
andrew-quinn/rosalind-exercises
problems/level-5/prtm/prtm-biopython.py
Python
mit
532
[ "Biopython" ]
89db8c4e4c3b6c3823d4654cb65b7c0133d5c5b857592e5d1d9f357fad5c4319
# -*- coding: UTF-8 -*- """ Based on ``behave tutorial`` Scenario Outline: Blenders Given I put <thing> in a blender When I switch the blender on Then it should transform into <other thing> Examples: Amphibians | thing | other thing | | Red Tree Frog | mush | | apples...
raulpush/monitorizare-site
bin/features/steps/blender.py
Python
apache-2.0
1,217
[ "Galaxy" ]
cd6d529f23fdc6ecf159a88970d29f5f010df0f0aeac21add76b78ab6e42986e
# -*- coding: utf-8 -*- """ Created on Wed Jun 08 15:06:17 2016 @author: Pedro Leal """ import matplotlib.pyplot as plt import scipy.signal as signal import scipy.interpolate as interpolate import numpy as np from xfoil_module import output_reader stress = "50MPa" raw_data = output_reader("flexinol_isobaric_trained_...
Mecanon/morphing_wing
experimental/sma_database/read_data.py
Python
mit
5,064
[ "Gaussian" ]
260f600c8737b93be3232d51a03615d111a36a0541acadfcfde4890e804855dc
#!/usr/bin/env python import vtk red = [255, 0, 0] green = [0, 255, 0] blue = [0, 0, 255] # Setup the colors array colors = vtk.vtkUnsignedCharArray() colors.SetNumberOfComponents(3) colors.SetName("Colors") # Add the colors we created to the colors array colors.InsertNextTypedTuple(red) colors.InsertNextTypedTuple(...
tjssmy/CuviewerPy
vtkTests/quad.py
Python
mit
2,817
[ "VTK" ]
efe81608bddb1dab401e1463f8ed7ee1fc8b93ec4c5120fbdc3309c866681e5e
import sys from ase import Atoms from gpaw import GPAW, FermiDirac from gpaw import KohnShamConvergenceError from gpaw.utilities import devnull, compiled_with_sl from ase.structure import molecule # Calculates energy and forces for various parallelizations tolerance = 4e-5 parallel = dict() basekwargs = dict(mode...
ajylee/gpaw-rtxs
gpaw/test/parallel/fd_parallel_kpt.py
Python
gpl-3.0
4,339
[ "ASE", "GPAW" ]
993593669a572e94cc962f3b19750dcbd4ff33601a5186ef04e6c728a3c1e003
# -*- coding: utf-8 -*- # # Copyright © 2016 Mark Wolf # # This file is part of Scimap. # # Scimap 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 lat...
m3wolf/scimap
scimap/exceptions.py
Python
gpl-3.0
4,504
[ "CRYSTAL" ]
6c996c9830049808634db0bdd53c5c773c3e83c91a6480dcab74206cbc60554f
import discord from .nodes.upgrades import upgrade_list def calculate_upgrade(up_id, level): up_table = { 'stamina': { 'amount': -(60 - (int(60 - ((60 / 100) * (level * 0.5))))), 'end': 'Seconds' }, 'luck': { 'amount': level * 250, 'end': 'B...
AXAz0r/apex-sigma-core
sigma/modules/minigames/professions/upgrades.py
Python
gpl-3.0
1,781
[ "CASINO" ]
d59456ded9e44afe25e4a26fd34847b8e671f9af23780734beaa3320ea2e8128
from pyseeyou.grammar import ICUMessageFormat from pyseeyou.node_visitor import ICUNodeVisitor def format(msg, values, lang): ''' :param msg: String, The message to parse :param values: Dict, The values to use in forming the final message :param lang: String, The language code for the language to use ...
rolepoint/pyseeyou
pyseeyou/__init__.py
Python
mit
842
[ "VisIt" ]
c0dc4b71d93fd9b934ddb710af71555594c855cb1ff77516e7dd4279c46a64d7
# # Parse tree nodes for expressions # from __future__ import absolute_import import cython cython.declare(error=object, warning=object, warn_once=object, InternalError=object, CompileError=object, UtilityCode=object, TempitaUtilityCode=object, StringEncoding=object, operator=object, ...
mrGeen/cython
Cython/Compiler/ExprNodes.py
Python
apache-2.0
498,361
[ "VisIt" ]
8b08754e359c0404f485012e8b0446e5a3258299623159b4e4f6018c4cfca368
#!/usr/bin/env python """ Easy Install ------------ A tool for doing automatic download/extract/build of distutils-based Python packages. For detailed documentation, see the accompanying EasyInstall.txt file, or visit the `EasyInstall home page`__. __ https://pythonhosted.org/setuptools/easy_install.html """ from...
gagoncal/Selenium
Selenium with python/Selenium_with_python_config_files/setuptools-12.0.1/setuptools/command/easy_install.py
Python
lgpl-2.1
85,584
[ "VisIt" ]
b6fe3f4927ea9298217bcf1ab1f1861f3b91db92835a3705792f4f0869ee7f6b
#! /usr/bin/env python #adam-does# matches the redshifts from our pipeline/bpz to external reference redshifts #adam-example# ipython -i -- ./match_specz_and_bpz_cats.py nedcat bpzcat =astropy.io.ascii.read("/u/ki/awright/bonnpipeline/adam_ned_MACS1226+21_galaxies.tsv") #adam-example# ipython -i -- ./match_specz_and_bp...
deapplegate/wtgpipeline
adam-nedgals2mygals/match_specz_and_bpz_cats.py
Python
mit
8,999
[ "Galaxy" ]
6a85b028524859f831411bd44998780744521a0f99fe07838922834cc48b8b16
#!/usr/bin/env python import sys if sys.version_info.major != 3: sys.exit('ERROR: This script must be run using Python v3.') from datetime import datetime, timedelta import multiprocessing from numpy import arcsin, array, cos, isnan, pi, radians, sin, sqrt, tan import numpy as np from netCDF4 import Dataset import ...
mmb-carb/GATE
GATE.py
Python
gpl-3.0
73,403
[ "NetCDF" ]
777945af8eaee4e8ed9cab7c19294a9b9c01605f90e51bba876ce7af6b4ffb77
#!/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...
RackSec/ansible
lib/ansible/modules/network/avi/avi_dnspolicy.py
Python
gpl-3.0
3,647
[ "VisIt" ]
4af71086237de5db99014bf4d68fb12e777b2ddb24ada7fc182057f9484c5bdc
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
psi4/psi4
psi4/driver/qcdb/libmintsmolecule.py
Python
lgpl-3.0
121,856
[ "Elk", "Psi4" ]
800e7d78631a1f62ce23483ffd68bb8313d737d238dc0882a6164527139a2959
from django.test import TestCase from django.core.urlresolvers import reverse from django.core import mail from django.conf import settings from datetime import * from tradeschool.models import * class RegistrationTestCase(TestCase): """ Tests the process of registering and unregistering to a course using...
orzubalsky/tradeschool
ts/apps/tradeschool/tests/registration.py
Python
gpl-3.0
8,207
[ "VisIt" ]
1d3ff50e4a43f52b203f2e1b11dc60093b4c693ccf0428aa83059c28a768bce1
# Copyright 2013, 2014, 2015, 2016, 2017, 2018, 2019, 2020 Kevin Reid and the ShinySDR contributors # # This file is part of ShinySDR. # # ShinySDR 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 vers...
kpreid/shinysdr
shinysdr/i/network/webapp.py
Python
gpl-3.0
11,530
[ "VisIt" ]
a97b67159814ccb67c6bdb8287e4467c5c8f50222b5854fa3a8935746b3250ca
# -*- coding: utf-8 -*- """ CPP数据结构定义 """ from cppvisitattr import CppVisit class CppData(object): def __init__(self, ty, name, ptr=False, static=False, visit=CppVisit(CppVisit.NONE), init=None): self.__type = ty self.__name = name self.__ptr = ptr self.__static = static ...
lailongwei/llbc
tools/building_script/cpputils/cppdata.py
Python
mit
745
[ "VisIt" ]
64f9441a94644e5788c371812ce6d55900921049f746e8500749658ac2327b96
# # Copyright (C) 2013,2014,2015,2016 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)...
KonradBreitsprecher/espresso
testsuite/pair_criteria.py
Python
gpl-3.0
4,765
[ "ESPResSo" ]
f051f131f8c1f71590f7d7a24ef232a3229bc0da5ef7bb991fac6080c6cf6746
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # # pymaid documentation build configuration file, created by # sphinx-quickstart on Sun Jul 9 22:17:00 2017. # # This file is execfile()d with the current directory set to its # containing dir. # # Note that not all possible configuration values are present in this # aut...
schlegelp/pymaid
docs/conf.py
Python
gpl-3.0
13,592
[ "Cytoscape", "NEURON" ]
1bd34f3d04aa81d65e4796bded6d8c7e1c6ce86b5a66ebb5c1e5f4cc004a142c
#!/usr/bin/env python """ Artificial Intelligence for Humans Volume 2: Nature-Inspired Algorithms Python Version http://www.aifh.org http://www.jeffheaton.com Code repository: https://github.com/jeffheaton/aifh Copyright 2014 by Jeff Heaton Licensed under the Apache License, Versi...
PeterLauris/aifh
vol2/vol2-python-examples/examples/example_aco_iris.py
Python
apache-2.0
20,865
[ "VisIt" ]
c645d116c805472547a353b031081af124a6c3876d7c69c4c9e8a755077f1616
#!/usr/bin/env python """BWA/samtools pileup tools""" from jip import * @tool('bwa_index') class BwaIndex(): """\ Run the BWA indexer on a given reference genome Usage: bwa_index -r <reference> Inputs: -r, --reference The reference """ def validate(self): self.add_ou...
thasso/pyjip
examples/bwa/pileup.py
Python
bsd-3-clause
5,658
[ "BWA" ]
fc6168132d65b0a0da7b5d514985bed465f3a0c71dffdce8769b535d0decb12b
import numpy as np from ase import Atoms from gpaw import GPAW from gpaw.xc.sic import SIC from gpaw.test import equal a = 7.0 atom = Atoms('N', magmoms=[3], cell=(a, a, a)) molecule = Atoms('N2', positions=[(0, 0, 0), (0, 0, 1.14)], cell=(a, a, a)) atom.center() molecule.center() calc = GPAW(xc=SIC(), txt...
qsnake/gpaw
gpaw/test/scfsic_n2.py
Python
gpl-3.0
553
[ "ASE", "GPAW" ]
c9fda28a6e65e3817773930d0d8071bf601e84b1e5a3bfee817f175ce4488ca8
# gridDataFormats --- python modules to read and write gridded data # Copyright (c) 2009-2014 Oliver Beckstein <orbeckst@gmail.com> # Released under the GNU Lesser General Public License, version 3 or later. # See the files COPYING and COPYING.LESSER for details. """ :mod:`gridData` -- Handling grids of data =========...
holocronweaver/GridDataFormats
gridData/__init__.py
Python
gpl-3.0
5,484
[ "PyMOL", "VMD" ]
e4a0662cfa2460fdd68739fa8916b4e818d0611df507ae0e6d313593d9019a69
########################################################### # File: OpenStackEndpoint.py # Author: A.T. ########################################################### """ OpenStackEndpoint is Endpoint base class implementation for the OpenStack cloud service. """ from __future__ import print_function from __future__ ...
DIRACGrid/VMDIRAC
VMDIRAC/Resources/Cloud/OpenStackEndpoint.py
Python
gpl-3.0
17,476
[ "DIRAC" ]
d0f3f2574a7a4f51ca523018ea17a9ec9fdac434f63211954722368c1defa147
# -*- coding: utf-8 -*- """ /*************************************************************************** ORStools A QGIS plugin QGIS client to query openrouteservice ------------------- begin : 2017-02-01 git sha ...
nilsnolde/ORStools
ORStools/gui/ORStoolsDialog.py
Python
mit
19,930
[ "VisIt" ]
cf6dc4f52be0a77dfa358346f220ecbbe8189d20f0452f3c2aefb3063c559829
""" K-means clustering and vector quantization (:mod:`scipy.cluster.vq`) ==================================================================== Provides routines for k-means clustering, generating code books from k-means models and quantizing vectors by comparing them with centroids in a code book. .. autosummary:: ...
jamestwebber/scipy
scipy/cluster/vq.py
Python
bsd-3-clause
27,263
[ "Gaussian" ]
416da765e78c22965d176b05d3a7c1580be3cc9719f0a8985da6e376fff61199
#!/usr/bin/env priithon import os, sys, time, csv import Chromagnon as ch import numpy as N from Priithon.all import F, Mrc from PriCommon import imgGeo from imgio import mrcIO METHODS=['quadrisection', 'logpolar', 'simplex'] #PARM_EXT = 'csv' NOISE_STATS=['Gaussian', 'Poisson'] def repeat(fns, n=10): outs = ...
macronucleus/chromagnon
Chromagnon/test_compareReg.py
Python
mit
6,944
[ "Gaussian" ]
4ba9aaa7bfe3ec89000d3ffc7c188d77e37f1bdb57818b1c773afc9ca30a20ac
#!/usr/bin/env python # Copyright 2014-2020 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/solvent/test/test_ddcosmo.py
Python
apache-2.0
19,467
[ "PySCF" ]
0f4f56a7cbbff5958c485c6de368efc3cd13932f0f0f93e0c1dc4ec559d18f57
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module defines the Cp2k output parser along with a few other functions for parsing cp2k-related outputs. """ import glob import logging import os import re import warnings import numpy as np import p...
gmatteo/pymatgen
pymatgen/io/cp2k/outputs.py
Python
mit
55,516
[ "CP2K", "Gaussian", "VASP", "pymatgen" ]
a1b2a040ad7a239d8bdd36a6dc671e339366b43b704fd143c1d210c12d07144d