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import unittest2 import datetime from google.appengine.api import urlfetch from google.appengine.ext import db from google.appengine.ext import testbed from google.appengine.ext.webapp import Response # from controllers.datafeed_controller import UsfirstEventDetailsGet from models.event import Event from models.team...
synth3tk/the-blue-alliance
tests/test_datafeed_controller.py
Python
mit
1,758
[ "COLUMBUS" ]
3838900e3fe88739c68a611bc373b55f8c305577718ce540a65e2c20e20a0e62
#!/usr/bin/env python import numpy as np from numpy.linalg import eigh from tran import fourier_hr2hk import sys class HR(): """ The Wannier tight-binding (TB) Hamiltonian in real space. """ def __init__(self, nwann, nrpt, irpt0, rpts, deg_rpt, hr): self.nwann=nwann self.nrpt = nrpt...
quanshengwu/wannier_tools
utility/wannhr_symm/lib/read_hamr.py
Python
gpl-3.0
6,682
[ "Wannier90" ]
79e85e2c01a59025339c7e7c79dad30de216503035c144ee04cc42dc95d3276a
from prettytable import PrettyTable from splinter import Browser import time from settings import * SAVE_SCREENSHOT_AT_LOCATION = BASE_PATH + '1.png' SAVE_TEXT_AT_LOCATION = BASE_PATH + 't.txt' def search_flight(): try: browser = Browser('chrome', headless=True) browser.visit(SITE_NAME) ...
sachs7/Flight-Finder
site_visit.py
Python
gpl-3.0
2,122
[ "VisIt" ]
2d0374b7fca8749194dd5b6bee5d8714638a38524cd93f28572caffc8e3b3678
# !/usr/bin/env python # -*- coding: utf-8 -*- import vtk def main(): colors = vtk.vtkNamedColors() colors.SetColor("BkgColor", [26, 51, 102, 255]) parametricObjects = list() parametricObjects.append(vtk.vtkParametricBoy()) parametricObjects.append(vtk.vtkParametricConicSpiral()) parametric...
lorensen/VTKExamples
src/Python/Deprecated/GeometricObjects/ParametricObjectsDemo.py
Python
apache-2.0
5,485
[ "VTK" ]
e4bf7a034af1477fd8551550f89ddf70f47ef0d329e9de990591a202fa989e00
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import requests """ This module provides an interface to the MaterialsVirtualLab's MEGNet REST API for rapid property prediction. """ __author__ = "Shyue Ping Ong" __version__ = "1.0" __maintainer__ = "Shyu...
dongsenfo/pymatgen
pymatgen/ext/crystalsai.py
Python
mit
4,319
[ "CRYSTAL", "pymatgen" ]
205e16bd6de3416cb72936830eda6bb3471507aa530be67da6554eba8e176d4b
# -*- coding: utf-8 -*- # # Copyright (c) 2020, the cclib development team # # This file is part of cclib (http://cclib.github.io) and is distributed under # the terms of the BSD 3-Clause License. """Utilities often used by cclib parsers and scripts""" import importlib import re from itertools import accumulate impo...
berquist/cclib
cclib/parser/utils.py
Python
bsd-3-clause
8,712
[ "GAMESS", "cclib" ]
e08ffe1a4e4ee5197f05d7d1429fe4948f99e991bbf60c244d1f6295bfbaeeb6
# -*- coding: utf-8 -*- import base64 import datetime import time import traceback import re from lxml import etree from dateutil.relativedelta import relativedelta import sys import random from Queue import Queue from threading import Thread reload(sys) sys.setdefaultencoding("utf8") if __name__ == '__main__': ...
Svolcano/python_exercise
dianhua/worker/crawler/china_mobile/guangxi/main.py
Python
mit
33,176
[ "VisIt" ]
c0713f44d1d0ba2ac7e13d8f3b990ed98b407a51f39faf51ff2368adefab4bb1
from __future__ import (absolute_import, division, print_function) import numpy as np import re import AbinsModules from mantid.kernel import Atom class LoadCASTEP(AbinsModules.GeneralAbInitioProgram): """ Class which handles loading files from foo.phonon output CASTEP files. Functions to read phonon fil...
ScreamingUdder/mantid
scripts/AbinsModules/LoadCASTEP.py
Python
gpl-3.0
11,122
[ "CASTEP" ]
8518668d46b6906aa66238595c1791588d0ff8f140dbad35c2f9034978c010a9
#!/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/mooseutils/tests/test_find_moose_executable.py
Python
lgpl-2.1
2,209
[ "MOOSE" ]
be39987a51ff46d306ea37f37012320e64417eadb3b45606e7ae80810ec11309
class Error (Exception): pass import os import re import tarfile import pyfastaq import json import subprocess import sys from ariba import common, card_record, vfdb_parser, megares_data_finder, megares_zip_parser allowed_ref_dbs = { 'argannot', 'card', 'megares', 'plasmidfinder', 'resfinder', ...
sanger-pathogens/ariba
ariba/ref_genes_getter.py
Python
gpl-3.0
30,576
[ "Biopython" ]
521ef0444d2aff3b3509ed1e34c0b6473428047fa51eb095d6faa8f464aacbf8
#!/usr/bin/env python # # Copyright 2012 Free Software Foundation, Inc. # # This file is part of GNU Radio # # GNU Radio 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, or (at your option) # ...
manojgudi/sandhi
modules/gr36/gr-filter/python/qa_firdes.py
Python
gpl-3.0
10,446
[ "Gaussian" ]
7be3bd301df421ce53fc15b4eeb72bdec8bb41bdaffc5a1e0040387ebdd5af45
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides classes used to define a non-periodic molecule and a periodic structure. """ import math import os import json import collections import itertools from abc import ABCMeta, abstractmeth...
fraricci/pymatgen
pymatgen/core/structure.py
Python
mit
162,106
[ "ABINIT", "CRYSTAL", "Gaussian", "NetCDF", "VASP", "exciting", "pymatgen" ]
013fa8bc369c0e04980ecd58e6f15ac07d1cbced52401d173a68178926d6fb9e
#!/usr/bin/env python # Copyright (c) 2015, Ecole Polytechnique Federale de Lausanne, Blue Brain Project # All rights reserved. # # This file is part of NeuroM <https://github.com/BlueBrain/NeuroM> # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the fol...
BlueBrain/NeuroM
examples/section_ids.py
Python
bsd-3-clause
2,451
[ "NEURON" ]
57dfcf367dbc9fbce6b81345e4148655b259a3418c93dde1ad6fc5e447a46d07
#!/usr/bin/env python # # -*- coding: utf-8 -*- # # PID_fan_control.py # # Simple PID loop to control fan speed. # # # Copyright (C) 2015-2016 Brian Rudy (Setarcos) # # PID_fan_control is free software; you can redistribute it # and/or modify it under the terms of the GNU General Public License # as published by the ...
rudybrian/PID_Fan_Control
PID_fan_control.py
Python
gpl-2.0
7,110
[ "Brian" ]
a55e6419251cc90f08ca3851e0b2fe130ce4915a794e4508ad1b770a3e522d7f
import bpy from io_scene_cs.utilities import rnaType, rnaOperator from io_scene_cs.utilities import HasSetProperty, RemoveSetPropertySet from io_scene_cs.utilities import RemovePanels, RestorePanels class csShaderVarContextPanel(): bl_space_type = "PROPERTIES" bl_region_type = "WINDOW" bl_context...
baoboa/Crystal-Space
scripts/blender/io_scene_cs/ui/shadervarcontext.py
Python
lgpl-2.1
1,110
[ "CRYSTAL" ]
225b64ba280a410f02707a33ec00ce28e4e7ed095dc895993c45f86bb28e638d
# .. coding: utf-8 # $Id: __init__.py 8058 2017-04-19 16:45:32Z milde $ # Author: Engelbert Gruber, Günter Milde # Maintainer: docutils-develop@lists.sourceforge.net # Copyright: This module has been placed in the public domain. """LaTeX2e document tree Writer.""" __docformat__ = 'reStructuredText' # code contributi...
burzillibus/RobHome
venv/lib/python2.7/site-packages/docutils/writers/latex2e/__init__.py
Python
mit
128,523
[ "VisIt" ]
eee1fe50c8cced36c6e0862e5ac09c27c692009479c24f4b7f9de9585b67b54c
# -*- coding: utf-8 -*- """ Created on Tue Jan 12 19:19:32 2016 @author: Radu """ from neuron import h h.load_file('stdgui.hoc') from matplotlib import pyplot from neuronpy.graphics import spikeplot from Network import ClarkeNetwork import simrun def tweak_leak(cells, Ncells): for a in range(Ncells): ce...
penguinscontrol/Spinal-Cord-Modeling
ClarkesNetwork/test2.py
Python
gpl-2.0
1,380
[ "NEURON" ]
23fe0795fefb0c8b148ce2b2ebd83c02a8c28b1840a68b1f6a205aaec2c3e65c
#!/usr/bin/env python """ Framework to start a simulated vehicle and connect it to MAVProxy. Peter Barker, April 2016 based on sim_vehicle.sh by Andrew Tridgell, October 2011 """ import atexit import getpass import optparse import os import os.path import signal import subprocess import sys import tempfile import ti...
hsteinhaus/ardupilot
Tools/autotest/sim_vehicle.py
Python
gpl-3.0
31,053
[ "Firefly" ]
faa35dd326b93afa1f593c0f4b07f0155ec44d6ce6f650bfd1d973851c74510a
r"""*Nonlocal CLI tests for* ``sphobjinv``. ``sphobjinv`` is a toolkit for manipulation and inspection of Sphinx |objects.inv| files. **Author** Brian Skinn (bskinn@alum.mit.edu) **File Created** 20 Mar 2019 **Copyright** \(c) Brian Skinn 2016-2022 **Source Repository** http://www.github.com/bskinn...
bskinn/sphobjinv
tests/test_cli_nonlocal.py
Python
mit
6,998
[ "Brian" ]
6a45e0106684b9b637efc82bb937326d5d7881effa2d6167b594e3dea7b2a12d
#!/usr/bin/env python """ Illustrates texturing on a glyph and also illustrates how easy it is to change that texture when you treat it as a numpy array. You can change the numpy array in-place and have TVTK re-render the scene. TVTK sees a view of this array without doing any data transfers. """ # Authors: Prabhu R...
dmsurti/mayavi
examples/tvtk/animated_texture.py
Python
bsd-3-clause
4,371
[ "VTK" ]
af7ecf2b2182b4ea54396b3aaf9747a48aff51dd757719e9b310dac9af2d2d2e
""" .. See the NOTICE file distributed with this work for additional information regarding copyright ownership. 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....
Multiscale-Genomics/mg-process-fastq
tests/test_tb_generate_tads.py
Python
apache-2.0
4,007
[ "BWA" ]
36282a6682bd2a7664a6361811b9c50c0ab486618304f66b2edbd2c28d1bb86e
import pylab import numpy import string def chi_sq(fit,y,err): ''' Returns chi_sq estimate for the fit. ''' X_sq=numpy.sum(((y-fit)/err)**2) nu=len(y)-2.0 sigma=numpy.sum(y-fit)/nu return X_sq def fit(x,y,err,which): ''' Performs fit to input data. Computes function (gauss or lore...
justincely/classwork
UMD/AST615/HW3/fit.py
Python
bsd-3-clause
3,157
[ "Gaussian" ]
c07bbfd5d67df8365b8559cd22a4ae38d9ea9613a10540fedec489af22043053
import matplotlib.pyplot as plt import numpy as np from mpl_toolkits.mplot3d import Axes3D from matplotlib import cm from utils import gauss_2d_anisotropic, uv_to_ed def scatter_3d(x1, x2, y, xlabel='u', ylabel='v', zlabel='flux', xlim3d=None, ylim3d=None, zlim3d=None): """ Do 3d scatter plot. ...
ipashchenko/ra_survey
ra_survey/plotting.py
Python
mit
6,863
[ "Gaussian" ]
39f0063ec719620dd0b7e262710a983cc5f60ea97499e3423d79393094fd44e4
# # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2006 Donald N. Allingham # Copyright (C) 2008 B. Malengier # Copyright (C) 2008 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # Copyright (C) 2012 Nick Hall # # This program is free software; you can redistribute it ...
arunkgupta/gramps
gramps/plugins/tool/mediamanager.py
Python
gpl-2.0
25,419
[ "Brian", "VisIt" ]
28101ca879a5a03b7751fcba774baf746a31a2fb6b3f62b22ecaa04c1113bacb
# coding: utf-8 from __future__ import unicode_literals import hmac import hashlib import base64 from .common import InfoExtractor from ..utils import ( determine_ext, float_or_none, int_or_none, js_to_json, mimetype2ext, parse_iso8601, remove_start, ) class NYTimesBaseIE(InfoExtractor):...
Orochimarufan/youtube-dl
youtube_dl/extractor/nytimes.py
Python
unlicense
8,904
[ "Octopus" ]
f97dbe5bb685003c48109d30d5219cc09496666d0a5404c38339026e0a414647
""" This module is for hemodynamic reponse function (hrf) specification. Here we provide for SPM, Glover hrfs and finite timpulse response (FIR) models. This module closely follows SPM implementation Author: Bertrand Thirion, 2011--2015 """ import warnings import numpy as np def _gamma_difference_hrf(tr, oversampli...
INCF/pybids
bids/analysis/hrf.py
Python
mit
16,570
[ "DIRAC" ]
29946065f30e2046dd9af1fb287e77d2bc2716ce8cc95269d5df91ce7482c591
#!/usr/bin/env python # Copyright 2014-2016 OpenMarket Ltd # # 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 applicabl...
matrix-org/synapse
contrib/cmdclient/console.py
Python
apache-2.0
30,085
[ "VisIt" ]
67b7f58bd394675f201df287b69bb8fc797df2f71bf98e7a0d60b09c81792310
# $Id$ # # Copyright (C) 2002-2008 greg Landrum and Rational Discovery LLC # # @@ All Rights Reserved @@ # This file is part of the RDKit. # The contents are covered by the terms of the BSD license # which is included in the file license.txt, found at the root # of the RDKit source tree. # """ Atom-based calculat...
greglandrum/rdkit
rdkit/Chem/Crippen.py
Python
bsd-3-clause
6,112
[ "RDKit" ]
f00542121567ba8fd78b8dd752797b12348c0cde46db2e4442b8634d55d19d76
""" [1] Gene H. Golub and John H. Welsch, Calculation of Gauss Quadrature Rules, Mathematics of Computation, Vol. 23, No. 106 (Apr., 1969), pp. 221-230+s1-s10, <https://doi.org/10.1090/S0025-5718-69-99647-1>, <https://www.semanticscholar.org/paper/Calculation-of-Gauss-Quadrature-Rules-%2A-By-Gene-Go...
nschloe/quadpy
src/quadpy/tools/main.py
Python
mit
5,223
[ "Gaussian" ]
ed350eaba73ba560f7cfd761b7a4cfa1900ce23ed0da9cd4311371328ade14e7
# -*- 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-dialogflow
tests/unit/gapic/dialogflow_v2beta1/test_conversation_profiles.py
Python
apache-2.0
108,999
[ "Octopus" ]
8b896579be7c8c180299001853a26c512ea3337cde8986999634c032349661a8
"""Test the Elk-M1 Control config flow.""" from homeassistant import config_entries, setup from homeassistant.components.elkm1.const import DOMAIN from tests.async_mock import AsyncMock, MagicMock, PropertyMock, patch def mock_elk(invalid_auth=None, sync_complete=None): """Mock m1lib Elk.""" mocked_elk = Ma...
GenericStudent/home-assistant
tests/components/elkm1/test_config_flow.py
Python
apache-2.0
9,878
[ "Elk" ]
739d3d906c9fb004b9903c3a95fb1f30a434290528c3198406d271d7771ca4c2
import vapoursynth as vs import numpy as np core = vs.get_core() clip = video_in def mat(dim=3, mid=1, rest=0): a = np.ones((dim, dim), np.int16) * rest a[len(a)//2,len(a)//2] = mid return a def mat5x5(mid=1, rest=0): return mat(5, mid, rest) def mat3x3(mid=1, rest=0): return mat(3, mid, rest) ...
ahjolinna/mpv-conf
mpv/etc/vs-scripts/conv-tests.py
Python
gpl-2.0
2,565
[ "Gaussian" ]
4ea6b074cb5021369743594b54390f0848a2486d2f9e46f8252bc8b521c61adc
#!python # coding=utf-8 import os import time import shutil from glob import glob from pyinotify import ( IN_CLOSE_WRITE, IN_MOVED_TO, ThreadedNotifier, WatchManager ) from gutils import safe_makedirs from gutils.slocum import SlocumMerger from gutils.watch.binary import Slocum2AsciiProcessor from gut...
SECOORA/GUTILS
gutils/tests/test_watch.py
Python
mit
5,050
[ "NetCDF" ]
dd21950194c1a9f9f64b6b7b13edcc77a784ceaed38384bf9d8fc7dc1839093a
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import datetime import unittest import numpy as np from pymatgen import Structure, Molecule from pymatgen.util.provenance import StructureNL, HistoryNode, Author """ Unit tests for StructureNL (SNL) format ""...
gVallverdu/pymatgen
pymatgen/util/tests/test_provenance.py
Python
mit
10,114
[ "pymatgen" ]
22cd935ed1189241bf7a199f353181b481e0ff9dbb2f790db7fc3d6bd19b3cc5
import sys import os import xmlrpclib import cPickle import subprocess from time import sleep from optparse import OptionParser from numpy import zeros import visit_writer usage = "usage: %prog [options]" description = """\ Magnetohydrodynamics (MHD) simulation software. This package does MHD simulations using the H...
certik/mhd-hermes
utils.py
Python
bsd-3-clause
3,717
[ "Mayavi", "VTK" ]
1c264de6277bab33dee59df1224d637d505036c3a074addabf03902901e6d995
from math import sqrt, pi, exp from mpmath import gamma, gammainc import sys #------------------------------------------------------------------------------- class X2: """The parent class for two-center integrals. Keyword arguments: scale -- The multiplicative scaling factor for the non-zero term contri...
berquist/obarasaika
obarasaika/obara_saika.py
Python
bsd-3-clause
27,826
[ "Gaussian" ]
c4a7b1cc80ff1fc7a57ec623faa78a9361025e1bd7f09f3ef6aaaad60bb5ba66
# Copyright (c) 2014-2019. Mount Sinai School of Medicine # # 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 ...
hammerlab/varcode
setup.py
Python
apache-2.0
2,683
[ "Biopython" ]
c019d5f58896e8eff12878c6b445e189f1e099f5d0238d68cabb69b8d630e2f3
#!/galaxy/home/mgehrin/hiclib/bin/python """ Merge any overlapping regions of bed files. Bed files can be provided on the command line or on stdin. Merged regions are always reported on the '+' strand, and any fields beyond chrom/start/stop are lost. usage: %prog bed files ... """ import psyco_full import sys fro...
bxlab/HiFive_Paper
Scripts/HiCLib/bx-python-0.7.1/build/scripts-2.7/bed_merge_overlapping.py
Python
bsd-3-clause
812
[ "Galaxy" ]
62af6f992d917f5d6fe3796c249b85a7fe774a1133a83bb69cd8f79e33166ec3
# Copyright 2020 The HuggingFace Team. All rights reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicabl...
huggingface/pytorch-transformers
src/transformers/activations_tf.py
Python
apache-2.0
2,766
[ "Gaussian" ]
89cb2ec9fd77ed75cb4cc52ad1c4da279d2c3e0d2eae15b919c2581f7ec5e1f3
# ---Libraries--- # Standard library import math # Third-party libraries import cv2 import numpy as np from scipy import stats from skimage import transform as tf from sklearn.preprocessing import normalize # Private libraries # Return the image after Gaussian filtering and Otsu's thresholding def image_binarizati...
avicorp/firstLook
src/utils.py
Python
apache-2.0
3,976
[ "Gaussian" ]
16c4605b4ad63e228dad901faa885ccfb8e284ae292f3e7ecbabd8c49f7c4768
# Functions to implement several important functions for # various Continous and Discrete Probability Distributions # # Author: Travis Oliphant 2002-2011 with contributions from # SciPy Developers 2004-2011 # from __future__ import division, print_function, absolute_import import math import warnings fro...
sargas/scipy
scipy/stats/distributions.py
Python
bsd-3-clause
222,099
[ "Gaussian" ]
cbef1cb9b7eec9f4f7a30380aa97d6dd554cbde76be37a52b036ce99c8b91d5d
#!/usr/bin/env python import gzip import json import optparse # using optparse as hydra still python 2.6 import os.path import shutil def _add_data_table_entry( data_manager_dict, data_table_name, data_table_entry ): data_manager_dict['data_tables'] = data_manager_dict.get( 'data_tables', {} ) data_manager_d...
Christian-B/galaxy_shedtools
directory_data_manager/data_manager/directory_data_manager.py
Python
gpl-2.0
3,686
[ "Galaxy" ]
cee2c717a8bf871012d51a684ce732633427687ad19d54e2fbfcd5acc3e42c64
''' * Created by Zhenia Syryanyy (Yevgen Syryanyy) * e-mail: yuginboy@gmail.com * License: this code is under GPL license * Last modified: 2017-07-12 ''' from feff.libs.class_Spectrum import Spectrum, GraphElement, TableData, BaseData import os import datetime from time import sleep from collections import OrderedDict ...
yuginboy/from_GULP_to_FEFF
feff/libs/class_for_parallel_comparison.py
Python
gpl-3.0
114,615
[ "FEFF" ]
d860406ee85139a0cf60249eedb7a0854e199768d4a5425e75fa222dfcc2ee56
import os import unittest import vtk, qt, ctk, slicer from slicer.ScriptedLoadableModule import * import logging # # NodeInfo # class NodeInfo(ScriptedLoadableModule): """Uses ScriptedLoadableModule base class, available at: https://github.com/Slicer/Slicer/blob/master/Base/Python/slicer/ScriptedLoadableModule.py...
SlicerRt/SlicerDebuggingTools
NodeInfo/NodeInfo.py
Python
bsd-3-clause
13,550
[ "VTK" ]
f4cc154e4a5580af2f2f8bfa2530a77f58f4402c6d5b07422abf7adf736347e8
######################################################################## # $HeadURL$ # File : CPUNormalization.py # Author : Ricardo Graciani ######################################################################## """ DIRAC Workload Management System Client module that encapsulates all the methods necessary t...
avedaee/DIRAC
WorkloadManagementSystem/Client/CPUNormalization.py
Python
gpl-3.0
3,163
[ "DIRAC" ]
d77202fbf02829e548afb53cb456d86eb4eb559ffcb8f6570ecaff07bae057f5
# Copyright 2018 The TensorFlow Probability 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 o...
tensorflow/probability
tensorflow_probability/python/sts/components/local_linear_trend.py
Python
apache-2.0
17,805
[ "Gaussian" ]
214349455be1ead6a2e8e4b3676a15410e18dc5308af231d660362d5f8a3e64d
import random from ase import Atoms from ase.ga.data import PrepareDB metals = ['Al', 'Au', 'Cu', 'Ag', 'Pd', 'Pt', 'Ni'] population_size = 10 # Create database db = PrepareDB('fcc_alloys.db', population_size=population_size, metals=metals) # Create starting population for i in xrange...
PHOTOX/fuase
ase/doc/tutorials/ga/ga_fcc_alloys_start.py
Python
gpl-2.0
520
[ "ASE" ]
7a861bfbab9bcf2aa0c3bd2c57c9d99af1a310b2d7f956125a5804972cf6ade4
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # startstore - [insert a few words of module description on this line] # Copyright (C) 2003-2009 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 o...
heromod/migrid
mig/cgi-bin/startstore.py
Python
gpl-2.0
1,108
[ "Brian" ]
ee92289175137e19b8709de5b01ca0c7e0feba25f303c33d68436d2f3e155b8c
# # Copyright (C) 2007, Mark Lee # #http://rl-glue-ext.googlecode.com/ # # 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...
okkhoy/mo-rlglue-python-codec
rlglue/agent/ClientAgent.py
Python
mit
5,108
[ "Brian" ]
67bcb696e7e5ff7051997293799da51bc620c2771a5563326e701cefa6b2d2ea
# cell.py --- # # Filename: cell.py # Description: # Author: Subhasis Ray # Maintainer: # Created: Fri Mar 9 23:17:17 2012 (+0530) # Version: # Last-Updated: Sun Jun 25 10:08:16 2017 (-0400) # By: subha # Update #: 699 # URL: # Keywords: # Compatibility: # # # Commentary: # # # # # Chang...
BhallaLab/moose-examples
traub_2005/py/cells.py
Python
gpl-2.0
15,686
[ "MOOSE", "NEURON" ]
45519c390e71513faa7a4ce9248232c6db6d161db750f28a1885a5591f4354cd
# mako/_ast_util.py # Copyright 2006-2020 the Mako authors and contributors <see AUTHORS file> # # This module is part of Mako and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """ ast ~~~ This is a stripped down version of Armin Ronacher's ast module. :copyr...
scheib/chromium
third_party/mako/mako/_ast_util.py
Python
bsd-3-clause
20,414
[ "VisIt" ]
40a5d90b40dba5879f2a14eb4198cb82370d5e54e0637f2c6c1faf9814761e95
import ocl import pyocl import camvtk import time import vtk import datetime import math if __name__ == "__main__": print ocl.revision() myscreen = camvtk.VTKScreen() a=ocl.Point(1,0.6,0.1) myscreen.addActor(camvtk.Point(center=(a.x,a.y,a.z), color=(1,0,1))) b=ocl.Point(0,1,0) myscre...
AlanZatarain/opencamlib
scripts/drop-cutter/drop_cutter_one-triangle_3_compoundcutter.py
Python
gpl-3.0
2,219
[ "VTK" ]
4d1aa9c22db92c58d22404ff54bb2c8aec19222fa63c37f1e2503db92ba02a86
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageNormalize(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk...
chrisidefix/devide
modules/vtk_basic/vtkImageNormalize.py
Python
bsd-3-clause
491
[ "VTK" ]
9b58d89e11b035c8f3e6dee6f27fbefde258dc81a66b761432ae1de6e8ebe002
import sys import random from math import log, exp import csv from itertools import product def create_aa_dict(): aa_dict = {"L": "leu", "P": "pro", "H": "his", "Q": "gln", "R": "arg", "I": "ile", "M": "met", "...
rjorton/ortools
ortools.py
Python
gpl-3.0
47,852
[ "Biopython" ]
16bebb33a02e01f0016cce9dde47500d76786b1fe9358b1a9cec5604fcdd6166
# coding: utf-8 # Copyright (c) Materials Virtual Lab # Distributed under the terms of the BSD License. from __future__ import division, print_function, unicode_literals, \ absolute_import import unittest import tempfile import os import shutil import random import json import numpy as np from monty.os.path impo...
materialsvirtuallab/veidt
veidt/potential/tests/test_mt.py
Python
bsd-3-clause
4,115
[ "LAMMPS", "pymatgen" ]
ec94ee8f6e61146d76d46e0819a092fd3e28911c311ad2e515cd731a811b97e1
""" Source finding ============== Simple source finder that can be used to find objects from astronomical images. :reqiures: NumPy :requires: SciPy :requires: matplotlib :author: Sami-Matias Niemi :contact: s.niemi@ucl.ac.uk :version: 0.6 """ import matplotlib matplotlib.use('PDF') import datetime, sys from optpars...
sniemi/EuclidVisibleInstrument
analysis/sourceFinder.py
Python
bsd-2-clause
18,368
[ "Gaussian" ]
8d01240664cdf5f4db808f6258ba1eccfb940fce3bd967f817608b109fd55fac
""" Test the MousePickDispatcher. """ import unittest from traits.api import HasTraits, Instance from mayavi.core.null_engine import NullEngine, DummyViewer from tvtk.api import tvtk from mayavi.tools.engine_manager import engine_manager from mayavi.core.registry import registry from mayavi.core.mouse_pick_dispatche...
dmsurti/mayavi
mayavi/tests/test_mouse_pick_dispatcher.py
Python
bsd-3-clause
3,001
[ "Mayavi", "VTK" ]
5c6cc70a39fc36ec9270b8ee69b45f706e82b00238d9f63d9d7f83f17eeeef92
# Copyright (c) 2018 PaddlePaddle Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by appli...
QiJune/Paddle
python/paddle/fluid/layers/nn.py
Python
apache-2.0
220,572
[ "NEURON" ]
bff211d7d2aeadcdd3893f6fb2cb58bf9204bb35018aeb9ff703c2128dd85ae7
# coding: utf-8 from __future__ import unicode_literals, division, print_function import os import tempfile import shutil from pymatgen.util.testing import PymatgenTest from monty.functools import lazy_property from pymatgen.core.lattice import Lattice from pymatgen.core.structure import Structure from pymatgen.io.a...
rousseab/pymatgen
pymatgen/io/abinitio/tests/test_flows.py
Python
mit
10,583
[ "ABINIT", "pymatgen" ]
b8ad3aa2194d43544b88b23b98a44eb70ed6772d65a79685daae706ebabb5138
# # 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/test/zoo/orca/automl/search/test_ray_tune_search_engine.py
Python
apache-2.0
9,299
[ "ORCA" ]
3ccb68bde6409bf12753a932258202281eb2785cf942929dde1af4d883be605b
""" Acceptance tests for Studio related to the asset index page. """ from flaky import flaky from ...pages.studio.asset_index import AssetIndexPage from .base_studio_test import StudioCourseTest from ...fixtures.base import StudioApiLoginError from ..helpers import skip_if_browser class AssetIndexTest(StudioCourse...
devs1991/test_edx_docmode
common/test/acceptance/tests/studio/test_studio_asset.py
Python
agpl-3.0
1,900
[ "VisIt" ]
31930d42cdb72594b2e5c07731f6efc264ce8cc5dfeebf64b29398ff6630dc40
"""==================================================""" """                  HELP                   """ """==================================================""" """ AUTHOR: Brady Hammond                            """ """ CREATED: 12/17/16                                """ """ EDITED BY: Brady Hammond       ...
BradyHammond/Topic_Modeler
help.py
Python
gpl-3.0
21,235
[ "VisIt" ]
3ea8bbc06bcca50cb60d6608c28ab45e7be3468dcf48ef5dda50c7d38356391f
import os import shutil import unittest from custodian.vasp.validators import ( VaspAECCARValidator, VaspFilesValidator, VaspNpTMDValidator, VasprunXMLValidator, ) test_dir = os.path.join(os.path.dirname(__file__), "..", "..", "..", "test_files") cwd = os.getcwd() class VasprunXMLValidatorTest(unitt...
materialsproject/custodian
custodian/vasp/tests/test_validators.py
Python
mit
2,741
[ "VASP" ]
7834328cd32c459e9349a7c6f7c978374c2a77cc03b90cfbce46c3e69a02e408
from __future__ import print_function import numpy as np import sys import regreg.api as rr from selection.tests.instance import logistic_instance, gaussian_instance from selection.approx_ci.selection_map import threshold_score_map from selection.approx_ci.ci_approx_density import approximate_conditional_density from ...
selective-inference/selective-inference
selectinf/sandbox/approx_ci/tests/test_threshold_score.py
Python
bsd-3-clause
4,582
[ "Gaussian" ]
35fcb38d569f295dc52f06cb783376971284cbf9648dd42eb0f59b34dc5a7911
"""Ops and optimizations for using BLAS calls BLAS = Basic Linear Algebra Subroutines Learn more about BLAS here: http://www.netlib.org/blas/blast-forum/ The standard BLAS libraries implement what is called "legacy BLAS" in that document. This documentation describes Theano's BLAS optimization pipeline. Where th...
JazzeYoung/VeryDeepAutoEncoder
theano/tensor/blas.py
Python
bsd-3-clause
92,596
[ "BLAST" ]
0b8d32ae7dc1ef64d4dc04555efd968dafc1d26d30364896291595834cd7bc4d
# 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 Snapshot.""" import hoomd from hoomd import _hoomd class _ConfigurationData: def __init__(self, cpp_obj): self._cpp_obj = cpp_obj ...
joaander/hoomd-blue
hoomd/snapshot.py
Python
bsd-3-clause
11,904
[ "HOOMD-blue" ]
edfe98d26e0d16680b8ea1fb7ec912b780b3fb11421b862dbd2140a16d8f0282
# Copyright (C) 2015, Carlo de Franchis <carlo.de-franchis@cmla.ens-cachan.fr> # Copyright (C) 2015, Gabriele Facciolo <facciolo@cmla.ens-cachan.fr> # Copyright (C) 2015, Enric Meinhardt <enric.meinhardt@cmla.ens-cachan.fr> # Copyright (C) 2019, Julien Michel (CNES) <julien.michel@cnes.fr> from __future__ import print...
dyoussef/s2p
s2plib/sift.py
Python
agpl-3.0
9,426
[ "Gaussian" ]
6d49049e6b71366b20dc4fca67a5db935baabd893f4b74ea9a0c64060259e79e
# -*- coding: utf-8 -*- #!/usr/bin/env python # # Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2000-2007 Donald N. Allingham # Copyright (C) 2007 Johan Gonqvist <johan.gronqvist@gmail.com> # Copyright (C) 2007-2009 Gary Burton <gary.burton@zen.co.uk> # Copyright (C) 2007-2009 Stephane Charet...
pmghalvorsen/gramps_branch
gramps/plugins/webreport/narrativeweb.py
Python
gpl-2.0
374,796
[ "Brian" ]
c031c11f78f84a5d9f40aba97d2a46f5dde19558b31a7b4462c5b3aef5e919ea
# 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. # Modified to print out atom serial_number instead of sequentially, RTB 22-Apr-16 """Outp...
rtb1c13/scripts
SAXS_MD/_PDBIO_edit.py
Python
gpl-2.0
8,517
[ "Biopython" ]
27f5c70eea6cfbe2e1b7972c1a1602df360d4f73db1d1e305420358a2312b4db
""" The MIT License Copyright (c) 2008 Vijay Ganesh 2014 Jurriaan Bremer, jurriaanbremer@gmail.com Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including wit...
guorendong/iridium-browser-ubuntu
third_party/stp/src/bindings/python/stp/stp.py
Python
bsd-3-clause
21,484
[ "VisIt" ]
8c7785ee17fbad2f950498d5e726a596ea4ef3468cdc5d8c695d13291c5236fe
import sys from distutils.version import LooseVersion from ariba import external_progs from ariba import __version__ as ariba_version package_min_versions = { 'bs4': '4.1.0', 'dendropy': '4.1.0', 'pyfastaq': '3.12.0', 'pysam': '0.8.1', 'pymummer' : '0.7.1', } package_max_versions = { #'pysam'...
martinghunt/ariba
ariba/versions.py
Python
gpl-3.0
2,213
[ "pysam" ]
536d93df1094a1f47048eb3a0b0e93832a5fea546a4f8e69790e55842b7a3a5a
#! /usr/bin/python import sys import math from solid import * from solid.utils import * # Not required, but the utils module is useful from plate import * hex_clearance = 0.2 mount_hex_r = hex_r1 - hex_clearance sys.stderr.write ("mount_hex_r: %g\n" % mount_hex_r) hex_mount = cylinder (r2 = mount_hex_r, r...
chertykov/Tripod
phone-mount.py
Python
gpl-2.0
2,328
[ "Galaxy" ]
94bdcdbdd9796445583637f4929604259c305d25e0881436ce7bf560c5e16570
# coding=utf-8 # Copyright 2022 RigL 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 agree...
google-research/rigl
rigl/experimental/jax/pruning/symmetry_test.py
Python
apache-2.0
23,548
[ "NEURON" ]
0b53ea27ba8ad017ea00837c06fcf4d48ce4cea57e7aa3eb828f2c6ee04f1ded
# -*- coding: utf-8 -*- u""" NetCDF reader/writer module. This module is used to read and create NetCDF files. NetCDF files are accessed through the `netcdf_file` object. Data written to and from NetCDF files are contained in `netcdf_variable` objects. Attributes are given as member variables of the `netcdf_file` and ...
altMITgcm/MITgcm66h
utils/python/MITgcmutils/MITgcmutils/pupynere.py
Python
mit
39,520
[ "NetCDF" ]
29e0f54387f92fe2cb974648a8d1bdb888b3b45367271f4b7d9beac69106b1e4
""" ========================================================== Comparison of kernel ridge and Gaussian process regression ========================================================== This example illustrates differences between a kernel ridge regression and a Gaussian process regression. Both kernel ridge regression an...
manhhomienbienthuy/scikit-learn
examples/gaussian_process/plot_compare_gpr_krr.py
Python
bsd-3-clause
13,335
[ "Gaussian" ]
74b47a2800d5e8a56a2b8b5114d7df874d1ae2ae85f22cd80c5a6f405b6f78c8
# Copyright (c) 2015-2018 Cisco Systems, Inc. # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to # deal in the Software without restriction, including without limitation the # rights to use, copy, modify, merge...
metacloud/molecule
molecule/command/init/scenario.py
Python
mit
6,722
[ "Galaxy" ]
33371877908d713d62c465bd8345a78a9f36e375d53825a49f20c855df414489
#!/usr/bin/python3 import warnings warnings.simplefilter(action="ignore", category=FutureWarning) import camoco.PCCUP as PCCUP from .Camoco import Camoco from .RefGen import RefGen from .Locus import Locus, Gene from .Expr import Expr from .Tools import memoize, available_datasets from .Term import Term from .Onto...
schae234/Camoco
camoco/COB.py
Python
mit
95,136
[ "Cytoscape" ]
c72a483857d5d1de97965c60b9d399c4785b553a5f97d37bd3751e0dbec3eaba
############################################################################## # Copyright (c) 2013-2018, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-64...
mfherbst/spack
var/spack/repos/builtin/packages/r-gdsfmt/package.py
Python
lgpl-2.1
2,401
[ "Bioconductor" ]
9ed973da45fd95d076e52d5fe494bdd8bb273807ff3e45de54cd7336c4d6b10f
"""Sphinx configuration.""" import sys import os import sphinx sphinx_ver = tuple(map(int, sphinx.__version__.split('.'))) # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.ab...
joaander/hoomd-blue
sphinx-doc/conf.py
Python
bsd-3-clause
1,827
[ "HOOMD-blue" ]
cd090e2c43d6e28b2236fcba9c38091278259625889eff4fed72571ab0b2f60e
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. #!/usr/bin/env python from __future__ import division, unicode_literals """ #TODO: Write module doc. """ __author__ = 'Shyue Ping Ong' __copyright__ = 'Copyright 2013, The Materials Virtual Lab' __version__ =...
migueldiascosta/pymatgen
pymatgen/io/xyzio.py
Python
mit
574
[ "pymatgen" ]
d3f3d6ef7300f5a259a48b269d81b59013ee5e1a39c1705c644d779d757958c7
""" The SGE TimeLeft utility interrogates the SGE batch system for the current CPU consumed, as well as its limit. """ from __future__ import print_function __RCSID__ = "$Id$" import os import re import time import socket from DIRAC import gLogger, S_OK, S_ERROR from DIRAC.Core.Utilities.TimeLeft.TimeLeft import...
fstagni/DIRAC
Core/Utilities/TimeLeft/SGETimeLeft.py
Python
gpl-3.0
6,703
[ "DIRAC" ]
3dc27f28a463f7628b763ce5acf0e577a654541d9870f5d9638200e2ce2e6635
# -*- 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-service-usage
tests/unit/gapic/service_usage_v1/test_service_usage.py
Python
apache-2.0
85,305
[ "Octopus" ]
d0d2b2824c98c7e0a411a61d1c27495a5046c50f2e214e260cecaaef0509f1cc
# -*- coding: UTF-8 -*- from conference import cachef from conference import models from pages.models import Page from collections import defaultdict from datetime import datetime, timedelta from django.conf import settings from django.contrib import comments from django.contrib.auth.models import User from django.co...
pythonitalia/conference
conference/dataaccess.py
Python
bsd-2-clause
25,323
[ "ESPResSo" ]
635a6811967c32fd609ce5c9ed6ca7e242b320c01cec467db2c7b4db667757e8
#!/usr/bin/env python """The X12.map.SQL module emits SQL table definitions from an :mod:`X12.parse` structure. These table definitions are minimized by flattening Segments into their parent Loop structures. See :ref:`traversal` for notes on the **Visitor** design pattern. .. autoclass:: SQLDetailsVisitor :memb...
sbuss/TigerShark
tigershark/X12/map/SQL.py
Python
bsd-3-clause
5,653
[ "VisIt" ]
814b8fd180995f781a728f167377d60dd2013e552505911b98b00a4af27b58ac
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ Created on Apr 30, 2012 """ __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The Materials Project" __version__ = "0.1" __maintainer__ = "S...
sonium0/pymatgen
pymatgen/serializers/tests/test_json_coders.py
Python
mit
4,504
[ "pymatgen" ]
ba26123c44f75e95ac002e2eccf3c893f1b0421d98cbc3cd579affbd1de67ca9
#!/usr/bin/env python # -*- coding: utf-8 -*- """ Munch is a subclass of dict with attribute-style access. >>> b = Munch() >>> b.hello = 'world' >>> b.hello 'world' >>> b['hello'] += "!" >>> b.hello 'world!' >>> b.foo = Munch(lol=True) >>> b.foo.lol True >>> b.foo is b['foo'...
georgestarcher/TA-SyncKVStore
bin/ta_synckvstore/munch/__init__.py
Python
mit
12,940
[ "Brian" ]
ef37c85670568fbc604b34fd2e97e02cd62af74feada9cfd789e70ee58d29ea4
#!/usr/bin/env python # """ Author: Bas van der Vlies Date : 1 June 2012 Desc. : Standard python module to parse accounting files for TORQUE SVN Info: $Id$ $URL$ Torque Info: abort Job has been aborted by the server C checkpoint Job has been checkpointed and held D delete Job has been delete...
ehiggs/pbs-python
src/PBSacct.py
Python
gpl-3.0
6,294
[ "ADF" ]
98611a2c426e6853aeef3f867c7c5bba4e75f7d0839b6c2adb412348d8b42f24
# ###################################################################### # Copyright (c) 2014, Brookhaven Science Associates, Brookhaven # # National Laboratory. All rights reserved. # # # # @author: Li Li (lili@bnl.g...
danielballan/scikit-xray
skbeam/core/fitting/tests/test_lineshapes.py
Python
bsd-3-clause
13,271
[ "Gaussian" ]
49a3a2d7ddaacf88013be8007240325b823e62dfb928dbcf60c4f47cae1a0956
#!/usr/bin/python # Usage example: # python captions.py --videoid='<video_id>' --name='<name>' --file='<file>' --language='<language>' --action='action' import httplib2 import os import sys from apiclient.discovery import build_from_document from apiclient.errors import HttpError from oauth2client.client ...
JacobChrist/YouTube-Caption
youtube-caption.py
Python
bsd-3-clause
8,156
[ "VisIt" ]
0fca687860814b426573c5560dc8bceb6645a82ae21c421d698bbaaf279a84b4
# -*- coding: utf-8 -*- """ pygments.lexers._asybuiltins ~~~~~~~~~~~~~~~~~~~~~~~~~~~~ This file contains the asy-function names and asy-variable names of Asymptote. Do not edit the ASYFUNCNAME and ASYVARNAME sets by hand. TODO: perl/python script in Asymptote SVN similar to asy-list.pl but onl...
sysbot/pastedown
vendor/pygments/pygments/lexers/_asybuiltins.py
Python
mit
27,319
[ "Gaussian" ]
2e3cfceb3da9462ca4dcd8fa8df132e0ec5f3cc40044903d722e59b05de7dada
""" Connected components. """ import itertools import logging import networkx as nx import numpy as np from matplotlib.patches import Circle, FancyArrowPatch from monty.json import MSONable, jsanitize from networkx.algorithms.components import is_connected from networkx.algorithms.traversal import bfs_tree from pyma...
materialsproject/pymatgen
pymatgen/analysis/chemenv/connectivity/connected_components.py
Python
mit
42,289
[ "pymatgen" ]
960173af2a40eca3d688194f8ee6892cbaaf5bbae4ee8052282154a3585a2e28
# Copyright (C) 2010-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
hmenke/espresso
samples/rigid_body.py
Python
gpl-3.0
3,363
[ "ESPResSo" ]
173ecb6137848b549ceb48f1949b61ea44a7140e6f2796597167b6a870ad2688
# ---------------------------------------------------------------------------- # cocos2d # Copyright (c) 2008-2012 Daniel Moisset, Ricardo Quesada, Rayentray Tappa, # Lucio Torre # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided t...
shadowmint/nwidget
lib/cocos2d-0.5.5/cocos/skeleton.py
Python
apache-2.0
15,167
[ "VisIt" ]
46ce20d8365ae4fdd5ad8c4c3e856fa8982ae858f6eb1ce2d79a234498c714de
#PBS -l nodes=1:ppn=1:xeon8 #PBS -q verylong #PBS -N E_plot_data_gen #PBS -m ae import sys import os from atommontecarlodata import AtomMonteCarloData import numpy as np from ase import units #used to get kB in eV/K import cPickle as pickle fdir = sys.argv[1] #Directory of .amc files to join #e_filter = float(sys.argv...
auag92/n2dm
Asap-3.8.4/Projects/NanoparticleMC/misc/saveenergiesamc_end.py
Python
mit
970
[ "ASE" ]
0f476069669fd00746528c0ee017a91c7a430f67edcf4aea9a25a56c89cdaf89
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from itertools import product import numpy as np from pymatgen.analysis.elasticity.strain import Deformation from pymatgen.core.surface import (SlabGenerator, get_symmetrical...
blondegeek/pymatgen
pymatgen/analysis/substrate_analyzer.py
Python
mit
17,529
[ "pymatgen" ]
a4bce78266c10feab03a81b7265143689e8b96746c0430ada4692f673ebd2036
"""Tests for the ArchiveFiles Operation""" from functools import partial import logging import os import pytest from mock import MagicMock as Mock from DIRAC import S_ERROR, S_OK from DIRAC.Core.Utilities import DEncode from DIRAC.RequestManagementSystem.Client.File import File from DIRAC.RequestManagementSystem.Cli...
DIRACGrid/DIRAC
src/DIRAC/DataManagementSystem/Agent/RequestOperations/test/Test_ArchiveFiles.py
Python
gpl-3.0
13,933
[ "DIRAC" ]
dae7f9985f8cd801239ba55053ac048fac2f1feed2dc40348c5296952d5e1439
import rdkit.Chem as Chem from rdkit.Chem import AllChem import autograd.numpy as np def smiles_to_fps(data, fp_length, fp_radius): return stringlist2intarray(np.array([smile_to_fp(s, fp_length, fp_radius) for s in data])) def smile_to_fp(s, fp_length, fp_radius): m = Chem.MolFromSmiles(s) return (AllChem...
HIPS/neural-fingerprint
neuralfingerprint/rdkit_utils.py
Python
mit
588
[ "RDKit" ]
4a77068bf7f443c310308bf462526fd1d0444afb567df0f903f78fffbed5dfd2
# Copyright 2006-2014 by Peter Cock. All rights reserved. # Revisions copyright 2011 Brandon Invergo. 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. """Tests for Bio.AlignIO.Ph...
updownlife/multipleK
dependencies/biopython-1.65/Tests/test_AlignIO_PhylipIO.py
Python
gpl-2.0
8,602
[ "Biopython" ]
ca690a096cd611f0602927344870f2e00a29066e9345e7ecf32c0351432cde27
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # PMDA # Copyright (c) 2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under the GNU Public Licence, v2 or any higher ve...
MDAnalysis/pmda
pmda/test/test_contacts.py
Python
gpl-2.0
10,048
[ "MDAnalysis" ]
bc7adbcf63cab125f4b25b1e8fcdcb02efbeb3e7d99aae49238d8682d5a8b1b5
import logging from numpy.lib.twodim_base import diag, eye from numpy.ma.core import asarray import os from os.path import expanduser from pickle import dump from independent_jobs.engines.BatchClusterParameters import BatchClusterParameters from independent_jobs.engines.SGEComputationEngine import SGEComputationEngi...
karlnapf/ozone-roulette
ozone/scripts/sample_ozone_posterior_average_sge.py
Python
bsd-2-clause
2,849
[ "Gaussian" ]
ddee84652063d0c021005acde83dce294206d2bf78a59c05988c7ae158772bab