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''' CacheFeederAgent This agent feeds the Cache tables with the outputs of the cache commands. .. literalinclude:: ../ConfigTemplate.cfg :start-after: ##BEGIN CacheFeederAgent :end-before: ##END :dedent: 2 :caption: CacheFeederAgent options ''' __RCSID__ = '$Id$' from DIRAC import S_OK from DIRAC.Core.Bas...
petricm/DIRAC
ResourceStatusSystem/Agent/CacheFeederAgent.py
Python
gpl-3.0
6,425
[ "DIRAC" ]
ba00d2814ee72009da4ee62625e8f1fba6e68667041aca102460b5010c7b7e48
''' Check the speed of different Brian 2 configurations (with additional models for brian2cuda) ''' import brian2 from brian2 import * from brian2.tests.features import SpeedTest from brian2.tests.features.speed import * from brian2cuda.tests.features.cuda_configuration import insert_benchmark_point from brian2.tests...
brian-team/brian2cuda
brian2cuda/tests/features/speed.py
Python
gpl-2.0
30,610
[ "Brian", "NEURON" ]
35dd339f9aa266a2907f18cf9c65011aabfa831aa047f24bed46abb106b866b9
1 #!/usr/bin/env python 2 """Module cma implements the CMA-ES (Covariance Matrix Adaptation Evolution Strategy). 3 4 CMA-ES is a stochastic optimizer for robust non-linear non-convex 5 derivative- and function-value-free numerical optimization. 6 7 This implementation can be us...
raphaelvalentin/qtlayout
syntax/optimize/cma/cma-1.0.07/cma-1.0.07.py
Python
gpl-2.0
391,778
[ "exciting" ]
7ff36957f19e7b40a1c5c1a95e5c15b1a0a9e723e9b6a9ab1e00283acb03bb53
#!/usr/bin/env python """ refresh CS """ from __future__ import print_function from __future__ import absolute_import from __future__ import division from DIRAC.Core.Base import Script Script.parseCommandLine() from DIRAC.ConfigurationSystem.private.Refresher import gRefresher res = gRefresher.forceRefresh() if not r...
yujikato/DIRAC
tests/Jenkins/dirac-refresh-cs.py
Python
gpl-3.0
354
[ "DIRAC" ]
18244feceff47eebc63e27ce9bf3709c7142e1b3c6b102e0757e678f2877b35c
__author__ = 'williewonka' import json from splinter import Browser import argparse import sys import openpyxl parser = argparse.ArgumentParser(description='queries a give list of patents from json object') parser.add_argument('--janus', dest='janus', action='store_true', help='activates logging in from janus') parse...
williewonka/USE-patents-project
querymaker.py
Python
gpl-2.0
5,222
[ "VisIt" ]
e5613858d22fd9b22c8317f1ae98f5f1394711b11aa998dab4ce9f7448a1162b
# -*- coding: utf-8 -*- try: # Python 2.7 from collections import OrderedDict except: # Python 2.6 from gluon.contrib.simplejson.ordered_dict import OrderedDict from gluon import current from gluon.html import * from gluon.storage import Storage from gluon.validators import IS_NOT_EMPTY from s3.s3fie...
gnarula/eden_deployment
private/templates/Philippines/config.py
Python
mit
128,063
[ "Amber" ]
62f65749e38298b41b0e9361ae3b8f1eebe384588da89aa8d3b9f4287bdb0b90
import os, sys import argparse import types import glob import numpy as np import pickle import tensorflow as tf import data import model from util import * from learning import LearnerCls, LearnerDACls, LearnerClsSelf, LearnerConfPred from learning import TempScalingCls as CalibratorCls ##TODO: clean-up tf options...
googleinterns/intern2020_cocal
uncertainty/plots/compute_stats.py
Python
apache-2.0
23,245
[ "Gaussian" ]
0c2975d78e027b523d7a52c031c2c6b8a514b993741f9ab4ad92362357c52223
#!/usr/bin/env python from __future__ import print_function import argparse import glob import sys import numpy as np import pysam import time import os from contextlib import closing TAG_HAPLOTYPE = "ht" TAG_CHUNK_ID = "mp" PB_HAP1_READS = "pb_hap1" PB_HAP2_READS = "pb_hap2" PB_LENGTH = "pb_len" PB_BLOCK_ID = "pb_b...
benedictpaten/marginPhase
toil/src/toil_marginphase/scripts/merge_chunks.py
Python
mit
23,945
[ "pysam" ]
a46af808076a34d4d0562b1456bfb538334b590eb27aadcc423f59033a548fdd
# -*- coding: utf-8 -*- # TAMkin is a post-processing toolkit for normal mode analysis, thermochemistry # and reaction kinetics. # Copyright (C) 2008-2012 Toon Verstraelen <Toon.Verstraelen@UGent.be>, An Ghysels # <An.Ghysels@UGent.be> and Matthias Vandichel <Matthias.Vandichel@UGent.be> # Center for Molecular Modeling...
molmod/tamkin
tamkin/io/cp2k.py
Python
gpl-3.0
8,743
[ "CP2K" ]
70e5c2b9b77c83b76c5de5a3d10e16666f36af9ec1d0b5ceb62b7fce499790ce
""" Django module container for classes and operations related to the "Course Module" content type """ import logging from cStringIO import StringIO from math import exp from lxml import etree from path import path # NOTE (THK): Only used for detecting presence of syllabus import requests from datetime import datetime...
nagyistoce/edx-platform
common/lib/xmodule/xmodule/course_module.py
Python
agpl-3.0
62,216
[ "VisIt" ]
0efb137ef016c17ffdbe04ff018a905b2b01119cbf29a3402a799cbbf300633e
""" @file outputs.py @author Yun-Pang Wang @author Daniel Krajzewicz @author Michael Behrisch @date 2007-12-25 @version $Id: outputs.py 12595 2012-08-24 14:07:33Z dkrajzew $ This script is for generating the outputs from the choosed traffic assignment. SUMO, Simulation of Urban MObility; see http://sumo.sour...
rudhir-upretee/Sumo_With_Netsim
tools/assign/outputs.py
Python
gpl-3.0
6,838
[ "MOE" ]
083e0099ae1da68e706a99d0ed0b3b59285d4fb7eb57b8bfe4afa4d8b4613cf8
import os import distutils.spawn import external.cclib as cclib import itertools import logging from subprocess import Popen import re from rmgpy.molecule import Molecule from qmdata import parseCCLibData from molecule import QMMolecule class Gaussian: """ A base class for all QM calculations that use Gaussi...
pierrelb/RMG-Py
rmgpy/qm/gaussian.py
Python
mit
19,822
[ "Gaussian", "MOPAC", "cclib" ]
84b98cd79b46f33a84e451dfe99dd90a32372d79d0328b1c8bafd88629d39502
from sympy import * from sympy.parsing.sympy_parser import parse_expr, standard_transformations, convert_xor, auto_number from sympy.printing.latex import LatexPrinter import re import ANNarchy.core.Global as Global from ANNarchy.core.Random import RandomDistribution from ..Extraction import * from ANNarchy.parser.Ana...
vitay/ANNarchy
ANNarchy/parser/report/LatexParser.py
Python
gpl-2.0
16,861
[ "NEURON" ]
e7d4d2b1c47cf7e71b2907c6e969d3516611d5fb954835a7b5390f10739cca1f
#!/usr/bin/python # # Copyright 2015 Google Inc. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required b...
wubr2000/googleads-python-lib
examples/adwords/v201506/campaign_management/validate_text_ad.py
Python
apache-2.0
2,766
[ "VisIt" ]
bd1eea17d886f6aecc4d11071fa0e0845db9589da1260ab64f90322819a65ec7
# Default Django settings. Override these with settings in the module # pointed-to by the DJANGO_SETTINGS_MODULE environment variable. # This is defined here as a do-nothing function because we can't import # django.utils.translation -- that module depends on the settings. gettext_noop = lambda s: s #################...
disqus/django-old
django/conf/global_settings.py
Python
bsd-3-clause
21,172
[ "VisIt" ]
b697fe703f417262438515faedfe6cfc7f1e54ea1ecd8b10aff48e7f4557ec7e
#!/usr/bin/env python try: from magpy.stream import * from magpy.absolutes import * from magpy.transfer import * from magpy.database import * except: from magpy.stream import * from magpy.absolutes import * from magpy.transfer import * from magpy.database import * import wx from matpl...
hschovanec-usgs/magpy
magpy/gui/analysispage.py
Python
gpl-3.0
5,932
[ "Gaussian" ]
9d7b7c90a252418fe532f28fa9822dc62a8f3ee57c084377bad7433c8bfe3d53
# common.py - shared symbols and globals import os, errno # exception class so you know where exception came from class FsDriftException(Exception): pass def myassert(bool_expr): if (not bool_expr): raise FsDriftException('assertion failed!') NOTOK = 1 OK = 0 BYTES_PER_KiB = 1 << 10 BYTES_PER_MiB =...
parallel-fs-utils/fs-drift
common.py
Python
apache-2.0
2,976
[ "Gaussian" ]
111324dec7cb8b1c8fa8de38ab145d87b5d60967f963109de81797ab8f4f47c1
# This file is part of DEAP. # # DEAP is free software: you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License as # published by the Free Software Foundation, either version 3 of # the License, or (at your option) any later version. # # DEAP is distributed...
marcioweck/PSSLib
reference/deap/examples/es/onefifth.py
Python
lgpl-3.0
2,795
[ "Gaussian" ]
a9fab1d811c0780d85aafdc7b1dc25515b83ff881aaa1197292af3e1adfe9415
"""MNIST AutoEncoder Test""" import numpy as np; import matplotlib.pyplot as plt; import theano; import theano.tensor as T; import telaugesa.datasets as ds; from telaugesa.fflayers import ReLULayer; from telaugesa.fflayers import SigmoidLayer; from telaugesa.model import AutoEncoder; from telaugesa.optimize import g...
duguyue100/telaugesa
scripts/mnist_ae_test.py
Python
mit
2,845
[ "Gaussian" ]
904bfd55b94387d545b93b08d0f9146b2658b8444a1e817e6e5e8d60570a3123
import numpy as np from parabem.airfoil.conformal_mapping import VanDeVoorenAirfoil from parabem.vtk_export import VtkWriter from parabem.utils import check_path #################################################### # analytic solution of vandevooren-airfoils # ################################################...
booya-at/paraBEM
examples/vtk/vtk_airfoil_vandevooren.py
Python
gpl-3.0
2,780
[ "VTK" ]
b7c046e3527d7f73daa6ef81fd996839e3fb700c07c340999c588cce356af3ec
from __future__ import division, print_function, absolute_import import unittest import GPy import numpy as np import networkx as nx from numpy.testing import * from .utilities import * from safemdp.SafeMDP_class import reachable_set, returnable_set from safemdp.grid_world import compute_true_safe_set, grid_world_gr...
befelix/SafeMDP
safemdp/test.py
Python
mit
10,232
[ "Gaussian" ]
b45b3288991e28cffcbb781ddeccac52fae219eb289b170602cfa734e6f692c0
# to do # handle files that don't exist in all 3 directories import os import subprocess import shutil import hashlib import log from uvsconst import UVSConst # TODO: return results from this service # shouldnt have trouble found flag set. hard conflict found is ok, refactor trouble found to raise error # this ...
kouritron/uvs
libuvs/automergeservice.py
Python
bsd-3-clause
25,097
[ "VisIt" ]
0a6489b6a7848feb92bc91459316a951592b612f6846141f58b2b6200cdd6cd9
############################################################################## # 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...
EmreAtes/spack
var/spack/repos/builtin/packages/lammps/package.py
Python
lgpl-2.1
4,781
[ "LAMMPS", "NetCDF" ]
e26feeb047348541fd2fe5efa235c7a32227c30879ee4eee2a64275d644168d9
# Orca # # Copyright 2010 Joanmarie Diggs. # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This library i...
Alberto-Beralix/Beralix
i386-squashfs-root/usr/share/pyshared/orca/scripts/apps/epiphany/script.py
Python
gpl-3.0
2,923
[ "ORCA" ]
42be9e41b9f631e9928ece1157f98c13b9fa34c7b0a412a4ac72aa3f05bb88c8
# ###################################################################### # Copyright (c) 2014, Brookhaven Science Associates, Brookhaven # # National Laboratory. All rights reserved. # # # # Redistribution and use in ...
hainm/scikit-xray
skxray/core/spectroscopy.py
Python
bsd-3-clause
13,125
[ "Gaussian" ]
10e378c08bd02e0f01acf15bd334049c433aeb8fb3cc7e94bda0c29ca5437be7
#! encoding: utf-8 # ###################################################################### # Copyright (c) 2014, Brookhaven Science Associates, Brookhaven # # National Laboratory. All rights reserved. # # # # Redistr...
tacaswell/scikit-beam
skbeam/core/roi.py
Python
bsd-3-clause
26,488
[ "Gaussian" ]
4bc1c8f223a430db1c28772256f869ebb2ee1cfbff275ad02132cf881a3b9038
#!/usr/bin/env python #! -*- coding: utf-8 -*- from __future__ import print_function import unittest import sys, os.path pkg_dir = os.path.dirname(os.path.realpath(__file__)) + '/../' sys.path.append(pkg_dir) from CRPGaussianSamplers import * class TestCRPGaussianCollapsedGibbs(unittest.TestCase): def se...
AusterweilLab/MPBNP
unittests/CRPGaussianCollapsedGibbsTest.py
Python
mit
1,859
[ "Gaussian" ]
76d9c047b1f70d7eb6e1b750807f5d0afc25921c1e0b7b034857dafb1c06f882
""" Add a state column to the history_dataset_association and library_dataset_dataset_association table. """ from sqlalchemy import * from sqlalchemy.orm import * from sqlalchemy.exc import * from migrate import * from migrate.changeset import * from galaxy.model.custom_types import * import datetime now = datetime.d...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/model/migrate/versions/0048_dataset_instance_state_column.py
Python
gpl-3.0
2,434
[ "Galaxy" ]
fa954332e4c6d60d50ce6c93b8eedf2fee3e313e67634652a6ddf468dc70a47f
######################################################################### ## This program is part of 'MOOSE', the ## Messaging Object Oriented Simulation Environment. ## Copyright (C) 2015 Upinder S. Bhalla. and NCBS ## It is made available under the terms of the ## GNU Lesser General Public License version 2...
dilawar/moose-full
moose-examples/snippets/insertSpinesWithoutRdesigneur.py
Python
gpl-2.0
3,531
[ "MOOSE", "NEURON" ]
68f7fea979614c1e900ab3feaa0bf3d37391601da43d2a9dd07d5b0244fa4ef3
#!/usr/bin/python import click import os from sidr import default from sidr import runfile CONTEXT_SETTINGS = dict(help_option_names=['-h', '--help']) def validate_taxdump(value, method): if (os.path.isfile("%s/%s" % (value, "names.dmp")) and os.path.isfile("%s/%s" % (value, "nodes.dmp")) and os...
damurdock/SIDR
sidr/cli.py
Python
mit
6,054
[ "BLAST" ]
dd62026aba57be1899a6aa67df1957ee31bc4ac95c46a9fdb506c9da7d13a2d5
import ocl import pyocl import camvtk import time import datetime import vtk def main(filename="frame/f.png"): print ocl.revision() myscreen = camvtk.VTKScreen() myscreen.camera.SetPosition(20, 12, 20) myscreen.camera.SetFocalPoint(0,0, 0) # axis arrows camvtk.drawArrows(my...
davidwusea/opencamlib
scripts/ocode/cutsim_test_1.py
Python
gpl-3.0
2,975
[ "VTK" ]
a47f752340b04ec32292b307b0637dc0c39366ed405a87f46f372c90565f721c
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ Unit tests for StructureNL (SNL) format """ __author__ = "Anubhav Jain" __credits__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The Materials Pro...
aykol/pymatgen
pymatgen/matproj/tests/test_snl.py
Python
mit
9,898
[ "pymatgen" ]
421294271be39fd42acec747605fb662f6c5895e806338b88326938f07507513
""" Main class of the phone loop model. Copyright (C) 2017, Lucas Ondel 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, ...
amdtkdev/amdtk
amdtk/models/phone_loop.py
Python
mit
19,108
[ "Gaussian" ]
e8a557d7fb5b4e59d7f08c5fe0dc90ee1e185dd292c38b38104f96612d8787ff
""" """ from wheezy.http import WSGIApplication from wheezy.http.middleware import http_cache_middleware_factory from wheezy.web.middleware import bootstrap_defaults from wheezy.web.middleware import http_error_middleware_factory from wheezy.web.middleware import path_routing_middleware_factory from config import opt...
lajto/ww-i18n
src/app.py
Python
gpl-3.0
928
[ "VisIt" ]
17dc0c9f35605175aeb9adfee713448348f5b7e8008491cfbc75316e31ff5564
#!/usr/bin/python """Test of line navigation.""" from macaroon.playback import * import utils sequence = MacroSequence() # Work around some new quirk in Gecko that causes this test to fail if # run via the test harness rather than manually. sequence.append(KeyComboAction("<Control>r")) sequence.append(PauseAction(...
pvagner/orca
test/keystrokes/firefox/line_nav_wiki_down.py
Python
lgpl-2.1
41,454
[ "ORCA" ]
5a97e78cf3fe43e68438fbc50ebceb5f1c026d95c3a0db5849101828d8272329
#!/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/fciqmcscf/fciqmc.py
Python
apache-2.0
39,629
[ "PySCF" ]
7506175a321c98a863533baa16f5f569faf20888b92f70344fd8a08591986b10
from tapiriik.settings import WEB_ROOT, HTTP_SOURCE_ADDR, GARMIN_CONNECT_USER_WATCH_ACCOUNTS from tapiriik.services.service_base import ServiceAuthenticationType, ServiceBase from tapiriik.services.service_record import ServiceRecord from tapiriik.services.interchange import UploadedActivity, ActivityType, ActivityS...
cpfair/tapiriik
tapiriik/services/GarminConnect/garminconnect.py
Python
apache-2.0
41,473
[ "VisIt" ]
129e1bf96f6f8180f1b5b31a16f79683dfe91895a0e23270cb64869e73159b0e
""" .. module:: CosmicX :synopsis: Remove cosmic rays from an astronomical image. kludged from PyCosmic to run _lacosmicx instead, which is faster """ import time import argparse import numpy as np import astropy.io.fits as pf try: import _lacosmicx except ImportError: print("Please install lacosmicx from ...
scizen9/kpy
SEDMr/CosmicX.py
Python
gpl-2.0
5,410
[ "Gaussian" ]
0d9d6b01368f73614e680725842bf017451676c161a4dfe5b074c2d86f159bd0
''' synbiochem (c) University of Manchester 2015 synbiochem is licensed under the MIT License. To view a copy of this license, visit <http://opensource.org/licenses/MIT/>. @author: neilswainston ''' import re __ELEMENTAL_MASSES = { 'H': 1.007825032, 'He': 3.01602932, 'Li': 6.015122887, 'Be': 9.012...
synbiochem/synbiochem-py
synbiochem/utils/chem_utils.py
Python
mit
4,634
[ "VisIt" ]
9412657898363c93af9ad61d88a2eaf48c2c2f8ab7a529fecb84bbcd1cd50acd
# -*- coding: utf-8 -*- ''' CuBIC is a statistical method for the detection of higher order of correlations in parallel spike trains based on the analysis of the cumulants of the population count. Given a list sts of SpikeTrains, the analysis comprises the following steps: 1) compute the population histogram (PSTH) wi...
pietroquaglio/elephant
elephant/cubic.py
Python
bsd-3-clause
6,870
[ "Gaussian" ]
e51618bfdb517f90c537195a4ba07c0f1200a73d26fe85209bb13cc8435a7c4c
# -*- coding: utf-8 -*- """ ================================================= ==================== Common Configuration ================================================= """ # Which will be the default atlas? # Options: Swanson, PaxinosWatson ATLAS = "Swanson" # Should multithreading be used when matching? # If True, ...
DeveloperJose/Vision-Rat-Brain
feature_matching_v2/config.py
Python
mit
4,836
[ "Gaussian" ]
4ffac9bc2044d19fdbea092d1a0f48f1dbd9a8a89f48514539a65bf6d98f5164
# -*- coding: utf-8 -*- """Functions for inducing random sub-graphs.""" import bisect import logging import random from operator import itemgetter from typing import Any, Iterable, Mapping, Optional, Set, Tuple from ..utils import remove_isolated_nodes from ...graph import BELGraph from ...pipeline import transforma...
pybel/pybel
src/pybel/struct/mutation/induction/random_subgraph.py
Python
mit
7,301
[ "Pybel" ]
852b7de4400d985e4efb49decc25ad7e6eeb95e4d95cf6f7a40c618c46beb5ae
import unittest import sam.sam_handler import os import subprocess import Utility import shutil import tempfile import sam_test_case import config.settings as settings settings.setup_logging() # Simulation Configs SIM_DIR = os.path.dirname(os.path.realpath(__file__)) + os.sep + "simulations" SIM_DATA_FILENAME_PREFIX ...
cfe-lab/Umberjack
test/Test_sam_handler.py
Python
bsd-2-clause
22,038
[ "BWA" ]
3d1d7a2db81bddaf618e2a685b6df3d1c6cbb960ceb2eefe181101b58386a2c7
import unittest import numpy as np from spglib import get_symmetry_dataset, get_hall_number_from_symmetry from vasp import read_vasp from os import listdir dirnames = ('cubic', 'hexagonal', 'monoclinic', 'orthorhombic', 'tetragonal', 'triclinic', ...
sauliusg/cod-tools
src/externals/spglib/python/test/test_hall_number_from_symmetry.py
Python
gpl-2.0
2,575
[ "VASP" ]
578382370a2f02ad49fbbf11c8d481b7b3a08be78e2600df9a90e24f0b73ae12
#!/usr/local/bin/python # encoding: utf-8 """ *Import Multi Unit Spectroscopic Explorer (MUSE) IFS galaxy stream into sherlock-catalogues database* :Author: David Young """ from __future__ import print_function import sys import os os.environ['TERM'] = 'vt100' import readline import glob import pickle import codec...
thespacedoctor/sherlock
sherlock/imports/ifs.py
Python
mit
5,686
[ "Galaxy" ]
e6a5e3340029b6c8e7ef48a51ebc9ee2d24915b275429116bed9a404bed3beca
# # 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...
lahnerml/espresso
samples/python/minimal-polymer.py
Python
gpl-3.0
1,793
[ "ESPResSo" ]
cde69044723fec30e09302390f1769b020ef3ed9ac94a4eec921e2ab8194310e
"""Universal feed parser Handles RSS 0.9x, RSS 1.0, RSS 2.0, CDF, Atom 0.3, and Atom 1.0 feeds Visit https://code.google.com/p/feedparser/ for the latest version Visit http://packages.python.org/feedparser/ for the latest documentation Required: Python 2.4 or later Recommended: iconv_codec <http://cjkpython.i18n.org...
flavour/eden
modules/feedparser5213.py
Python
mit
159,859
[ "NetCDF", "VisIt" ]
e8d336a0233778a5974036fa60d87cc8408e05ae93abcde0fdbbba78153a60bb
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 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 #...
lothian/psi4
psi4/driver/procrouting/interface_cfour.py
Python
lgpl-3.0
18,937
[ "CFOUR", "Psi4" ]
9c57664b4e20d410611d717d73824f6f6425ab90a6d44f05016d075126f84c06
######################################################################## # File: Operation.py # Date: 2012/07/24 12:12:05 ######################################################################## """ :mod: Operation .. module: Operation :synopsis: Operation implementation Operation implementation """ # Disable inva...
andresailer/DIRAC
RequestManagementSystem/Client/Operation.py
Python
gpl-3.0
10,421
[ "DIRAC" ]
b65e9eb9c832f90c66f4310f2aeb0b94c9c230ddfee469a0ec3d195aa8273e10
# -*- coding=utf-8 -*- from __future__ import absolute_import, print_function, unicode_literals import unittest import copy import math import numpy as np from chemfiles import Frame, UnitCell, Topology, Atom, Residue, ChemfilesError from chemfiles import BondOrder, CellShape from _utils import remove_warnings class...
Luthaf/Chemharp-python
tests/frame.py
Python
mpl-2.0
7,425
[ "Chemfiles" ]
1759ffb59b30cbd9b5cbd28bffd40488bc60186bdecc6827ad8323c8434f04e9
"""Forest of trees-based ensemble methods Those methods include random forests and extremely randomized trees. The module structure is the following: - The ``BaseForest`` base class implements a common ``fit`` method for all the estimators in the module. The ``fit`` method of the base ``Forest`` class calls the ...
mbayon/TFG-MachineLearning
venv/lib/python3.6/site-packages/sklearn/ensemble/forest.py
Python
mit
79,027
[ "Brian" ]
bac84a3ef771ac8a0d0fec9db2d1f8d2d6aa1ceb87dd8a2aa577ede5682dab08
#!/usr/bin/env python # -*- coding: utf-8 -*- """ for a group of sequences,calculate pairwise identity then use igraph to find non-redundant sets of sequences please install python-igraph,BioPython,numpy first usage: python igraph_maximal_clique_seq.py seq.fa """ import sys import os import igraph import numpy as np...
lituan/tools
igraph_maximal_clique_seq.py
Python
cc0-1.0
3,920
[ "Biopython" ]
f211dbc0ded87260b31d65a949f113bbc8c9c479a782ba7c83aa02016ce4348c
#!/usr/bin/env python """ This data and module are in the public domain. http://inamidst.com/phenny/ """ data = ( ("AYGA", -6.08166666667, 145.391666667), ("AYMD", -5.20694444444, 145.788611111), ("AYMH", -5.82611111111, 144.296111111), ("AYNZ", -6.56972222222, 146.726111111), ("AYPY", -9.443333333...
NeoMahler/rc-vikidia
icao.py
Python
mit
180,282
[ "FEFF" ]
73e2309227401ef20f9014448325a4fc7283fda925798adbbb68751d2a8e1d6c
# -*- coding: utf-8 -*- """OpenERP addons manifest aka __openerp__.py checker""" import os try: import ast from ast import NodeVisitor except ImportError: from flake8.util import ast from ast import NodeVisitor from common_checker.base_checker import BaseChecker AGPL = 'AGPL-3' ALLOWED_KEYS = ['name'...
nbessi/openerp-conventions
v7/manifest_checker.py
Python
mit
5,069
[ "VisIt" ]
5bd61bb0bed11416664835795d94904f7b8663d24dcde20909e5f04cd330837a
# This file is part of xrayutilities. # # xrayutilities is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # This program is distributed...
dkriegner/xrayutilities
examples/simpack_xrr_effectivedensityslicing.py
Python
gpl-2.0
2,533
[ "CRYSTAL" ]
c5278d8c7814947dab3dbaba1cef1cd5d1b50d38edf03d77443b258c15058fff
""" The TimeLeft utility allows to calculate the amount of CPU time left for a given batch system slot. This is essential for the 'Filling Mode' where several VO jobs may be executed in the same allocated slot. The prerequisites for the utility to run are: - Plugin for extracting information from lo...
yujikato/DIRAC
src/DIRAC/Resources/Computing/BatchSystems/TimeLeft/TimeLeft.py
Python
gpl-3.0
8,046
[ "DIRAC" ]
b423af86c57d5e87fc9cf963665d106e1a2c80b4aaf76ca49ee7d4dc616fe485
############################################################################## ############################################################################## # Default settings and helpers for # Maximum-likelihood inference # # Copyright (c) 2016 Johan Dahlin # liu (at) johandahlin.com # ###############################...
compops/gpo-abc2015
para/ml_helpers.py
Python
mit
9,739
[ "Gaussian" ]
690b288a754ee960e152e57d0f3a21bc3f5a9bc14712dcada8b4a598d8c2289f
#!/usr/bin/python # -*- coding: utf-8 -*- from CTFd.models import Users, Solves, Challenges, WrongKeys, Keys, Tags, Files, Tracking, Teams from CTFd import create_app from random import randint import datetime import random import hashlib import os import sys app = create_app() USER_AMOUNT = 50 TEAM_AMOUNT = 10 CHA...
RITC3/RC3_CTFD
populate.py
Python
apache-2.0
16,078
[ "Amber", "Brian", "CRYSTAL" ]
308a36dddb2ba07e63022e84cc97561aa953e2c0f19cba4780aca25c270c52b2
import os import cmd import sys import shlex import pprint import argparse import synapse.neuron as s_neuron import synapse.eventbus as s_eventbus import synapse.datamodel as s_datamodel class Cmd(cmd.Cmd,s_eventbus.EventBus): def __init__(self, neu): cmd.Cmd.__init__(self) self.prompt = 'neu> ' ...
imjonsnooow/synapse
synapse/tools/neutool.py
Python
apache-2.0
3,150
[ "NEURON" ]
398f1a5cd5df91d30d2e151a16df152c114b1f74847c0cd428922778c3fa90c1
#!/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...
Block137/Dual2
Tools/autotest/sim_vehicle.py
Python
gpl-3.0
31,138
[ "Firefly" ]
0e2fdc7e32f4d561f20edd7b6ce031bb1261fd3ebc3e626a57d6abfae083f7d6
""" Extractor for gridded data y.wang@bom.gov.au """ from datetime import date, timedelta import numpy as np from scipy.io import netcdf from .cod import CoD from .mask import Mask from .gridded import AwapDailyData class GriddedExtractor(object): def __init__(self, cod_base_dir=None, mask_base_dir=None, gridd...
paolap/cwsl-ctools
sdm/sdm/extractor.py
Python
apache-2.0
3,948
[ "NetCDF" ]
98110f59572080ba38a46b16f95d792891cc8e83db240e2517578825f59c0687
# 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 # # Unless required by appl...
sunqm/pyscf
pyscf/adc/test/test_radc/test_H2CO_radc_outcore_small_mem.py
Python
apache-2.0
3,532
[ "PySCF" ]
af09b821d616a3313ba30290e102ae70dec0058193544a5905b6b5697f9474bc
""" JSON Renderer """ from . import json_template from .. import renderer_result from ...visitors import data_visitor as dv class JsonPrimitiveRenderer(dv.DataVisitor): def __init__(self, string_stream, new_line, render_name=True): self.string_stream = string_stream self.new_line = new_line ...
svperbeast/plain_data_companion
src/templates/json/json_renderer.py
Python
mit
5,861
[ "VisIt" ]
bb22b20e930148dce847ac34f9c2cd343c5fc97aa861e795f71f207f49faf927
############################################################################### # # Copyright (c) 2011 Ruslan Spivak # # 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, inc...
moses-palmer/slimit
src/slimit/visitors/ecmavisitor.py
Python
mit
12,856
[ "VisIt" ]
d5547a546d4bd5134691b51078994537fe3da311337036853b62af3b51bccae0
#!/usr/bin/env python """ binreads is a simple script that uses pysam to find retrieve reads over a region from read mapping analysis (BAMfiles). Script requires a **sorted** BAM file and you need to specify the name of the reference sequence used (Just check with samtool view). If you want to specify a subregion u...
happykhan/binreads
binreads/binreads.py
Python
gpl-3.0
4,388
[ "pysam" ]
60e1efe3287b063d5b221489634c2b0047a1c851430ebfe2c9619d5df1ace6dc
# Copyright 2014, Brian Coca <bcoca@ansible.com> # Copyright 2017, Ken Celenza <ken@networktocode.com> # Copyright 2017, Jason Edelman <jason@networktocode.com> # Copyright 2017, Ansible Project # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of ...
privateip/ansible
lib/ansible/plugins/filter/mathstuff.py
Python
gpl-3.0
8,342
[ "Brian" ]
9ef5cb1549dcf8d71a6431d5a33688694e1b71bb72214a43b2265f84f31127eb
#!/usr/bin/python # # @author: Gaurav Rastogi (grastogi@avinetworks.com) # Eric Anderson (eanderson@avinetworks.com) # module_check: supported # Avi Version: 17.1.1 # # Copyright: (c) 2017 Gaurav Rastogi, <grastogi@avinetworks.com> # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses...
hkariti/ansible
lib/ansible/modules/network/avi/avi_virtualservice.py
Python
gpl-3.0
26,779
[ "VisIt" ]
fd05a879056d9a426380c867e3bae2ea39d27f4942483825e9a6c725c8f899b3
######################################################################## # File: TracedTests.py # Author: Krzysztof.Ciba@NOSPAMgmail.com # Date: 2012/08/08 15:21:32 ######################################################################## """ :mod: TracedTests ======================= .. module: TracedTests ...
andresailer/DIRAC
Core/Utilities/test/Test_Traced.py
Python
gpl-3.0
2,735
[ "DIRAC" ]
c32ba93c0a66b0030c487494c90674da84b58f80d5867a365de4979a69bb71c7
# $Id$ # # @@ 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. # import doctest import unittest from rdkit import Chem from rdkit import rdBase from rdkit....
bp-kelley/rdkit
rdkit/Chem/Fraggle/UnitTestFraggle.py
Python
bsd-3-clause
7,513
[ "RDKit" ]
4f4df51365e6507d32689396d69249ad028fed851b9772175153c78bc400d066
# Copyright 2018 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
tensorflow/privacy
tensorflow_privacy/privacy/analysis/rdp_accountant.py
Python
apache-2.0
19,387
[ "Gaussian" ]
b93d3ab1494468627e4fa704d36a928f48056846c707e9ef007dd8b2dcd85567
############################### # This file is part of PyLaDa. # # Copyright (C) 2013 National Renewable Energy Lab # # PyLaDa is a high throughput computational platform for Physics. It aims to make it easier to submit # large numbers of jobs on supercomputers. It provides a python interface to physical input, suc...
pylada/pylada-light
tests/vasp/incar/test_npar.py
Python
gpl-3.0
1,976
[ "CRYSTAL", "VASP" ]
07354f8285d5ea967d7a02bcf00541c060a7b6677b4eff844c70c8117d2d900b
from setuptools import setup, find_packages version = '1.1.0' setup(name='pyrabbit', version=version, description="A Pythonic interface to the RabbitMQ Management HTTP API", long_description="""\ The main documentation lives at http://pyrabbit.readthedocs.org There's no way to easily write progra...
bkjones/pyrabbit
setup.py
Python
bsd-3-clause
1,641
[ "Brian" ]
e23f2a3e025018b9aaf6123ef1352e3a1e57d30ed5a7d52a28a876ffb005419e
#!/usr/bin/env python ################################################## ## DEPENDENCIES import sys import os import os.path try: import builtins as builtin except ImportError: import __builtin__ as builtin from os.path import getmtime, exists import time import types from Cheetah.Version import MinCompatib...
MOA-2011/e2openplugin-OpenWebif
plugin/controllers/views/ajax/eventdescription.py
Python
gpl-2.0
4,498
[ "VisIt" ]
480255f7adc3071ec3cad832e62be941a4e58ac945ba568829c828eaa568313f
""" 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...
TaylorOshan/pysal
pysal/spreg/error_sp.py
Python
bsd-3-clause
43,203
[ "COLUMBUS" ]
6389fbec2f9234f74fdd79c6ac9d392c11e2f7a820f3d3271055620bf4ae2ad7
from cd_perf_promotion.engines.argumentengine import ArgumentEngine from cd_perf_promotion.engines.configengine import ConfigEngine from cd_perf_promotion.engines.dataengine import DataEngine from cd_perf_promotion.engines.comparisonengine import ComparisonEngine from cd_perf_promotion.engines.outputengine ...
CDKGlobal/cd-performance-promotion
cd_perf_promotion/main.py
Python
mit
1,639
[ "CDK" ]
6c7c14a98ecd15051d9fdaa84fd8605fbada39f9a697d1724d4a97b7f86ff0f4
"""Functions to process IPython magics with.""" from functools import lru_cache import dataclasses import ast from typing import Dict, List, Tuple, Optional import secrets import sys import collections if sys.version_info >= (3, 10): from typing import TypeGuard else: from typing_extensions import TypeGuard ...
psf/black
src/black/handle_ipynb_magics.py
Python
mit
13,534
[ "VisIt" ]
b38d02a3cf5ea529c7573f4c7dd96866a58299488a294ec1ba66bd8fe139cacb
########################################################################## # # This file is part of OCEMR. # # OCEMR 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,...
ph1l/ocemr
ocemr/views/visit.py
Python
gpl-3.0
23,918
[ "VisIt" ]
e9f6f5fa66f7a614ffc98a67d40e972c0cb6a1abe670c08bd318d5039b94c4b5
#!/usr/bin/env python # coding: utf-8 # # Copyright 2007 Google Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by ...
nicko96/Chrome-Infra
appengine/chromium_rietveld/upload.py
Python
bsd-3-clause
100,822
[ "VisIt" ]
a5aa5356014496c5d2ef63b7f023532caa8dfdb83b62b1af44d783d60916285d
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import logging import numpy as np import time from pymatgen.core.structure import Structure from pymatgen.core.sites import PeriodicSite from monty.json import...
czhengsci/pymatgen
pymatgen/analysis/chemenv/coordination_environments/voronoi.py
Python
mit
40,650
[ "pymatgen" ]
b501a3e98e18cef05c823d435fb8ead845086feeddf92c4d7a98f5323ed3818b
from nanopore.analyses.abstractAnalysis import AbstractAnalysis from nanopore.analyses.utils import AlignedPair, getFastaDictionary, getFastqDictionary, samIterator import os import numpy import pysam import xml.etree.cElementTree as ET from jobTree.src.bioio import reverseComplement, fastaRead, fastqRead, prettyXml, s...
mitenjain/nanopore
nanopore/analyses/coverage.py
Python
mit
9,851
[ "pysam" ]
9d4c0de9d4512154c109bc0262f930fc2f472b2c20488b528ed03195cc4e7a6d
""" unit tests for Transformation Clients """ from __future__ import absolute_import from __future__ import division from __future__ import print_function # pylint: disable=protected-access,missing-docstring,invalid-name import six import unittest import json import mock from DIRAC.RequestManagementSystem.Client.Req...
ic-hep/DIRAC
src/DIRAC/TransformationSystem/Client/test/Test_Client_TransformationSystem.py
Python
gpl-3.0
13,918
[ "DIRAC" ]
c4fde540d2f8a2ba7027d29392d9220d3f33ccb79d72d29a2853991e16d4195e
# # $Revision: 738 $ # $Date: 2009-02-12 15:32:12 -0700 (Thu, 12 Feb 2009) $ # $Author: brian@tannerpages.com $ # $HeadURL: http://rl-glue-ext.googlecode.com/svn/trunk/projects/codecs/Python/src/rlglue/versions.py $ def get_svn_codec_version(): SVN_GLUE_VERSION="$Revision: 738 $" justTheNumber=SVN_GLUE_VER...
okkhoy/rlglue-python3-codec
src/rlglue/versions.py
Python
apache-2.0
422
[ "Brian" ]
d2f25a9e305d7aef1fa9488b183c4b13d639dd3540d331b927c5b59ff467d090
""" utilities ========= Collection of classes and functions for components and services of ApBsInT: - Potential manager - Model (PM and B factor) - Representation """ import numpy as np import scipy.sparse as ssp import scipy.linalg as sla import numbers import time # For profiling import apbsint.helpers as helper...
mseeger/apbsint
python/apbsint/utilities.py
Python
bsd-3-clause
26,130
[ "Gaussian" ]
dfac4bd8ce06cb63d650c43497bc20a23a54c51f9f27d1697731b8c090971067
import ocl as cam import camvtk import time import vtk import math import datetime def main(): myscreen = camvtk.VTKScreen() focal = cam.Point(5, 5, 0) r = 30 theta = (float(45)/360)*2*math.pi fi=45 campos = cam.Point( r*math.sin(theta)*math.cos(fi), r*math.sin(theta)*math.sin(f...
aewallin/opencamlib
examples/python/kdtree_debug_0.py
Python
lgpl-2.1
3,657
[ "VTK" ]
147bb08c9d36afdb10021b79894a47ad5856f3b7782e7a5c474108c125c779cc
import numpy as np import rdkit.Chem.Descriptors as Descriptors import rdkit.Chem.rdMolDescriptors as rdMolDescriptors import rdkit.Chem.EState as EState import rdkit.Chem.rdPartialCharges as rdPartialCharges import rdkit.Chem.rdChemReactions as rdRxns att_dtype = np.float32 def oneHotVector(val, lst): '''Converts a...
connorcoley/ochem_predict_nn
utils/descriptors.py
Python
mit
7,409
[ "RDKit" ]
30bb6fd608b7a537ffec3460f9dcf75a83033e9b6e68fe15940d42eb9dbc607a
# Storage filtering classes # # Copyright (C) 2013 Red Hat, Inc. # # This copyrighted material is made available to anyone wishing to use, # modify, copy, or redistribute it subject to the terms and conditions of # the GNU General Public License v.2, or (at your option) any later version. # This program is distributed...
sujithshankar/anaconda
pyanaconda/ui/gui/spokes/filter.py
Python
gpl-2.0
27,986
[ "VisIt" ]
f2ce42cb0078e8eb5a1cf68b8a82674d94a3a70fba8a610402517ced39fd5316
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 fileencoding=utf-8 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) #...
MDAnalysis/mdanalysis
testsuite/MDAnalysisTests/coordinates/test_memory.py
Python
gpl-2.0
14,202
[ "MDAnalysis" ]
aeb0649b4ebb060035ce4befdac7681ed46d5f92420e5a70c3a1b47b7979a7ae
# Copyright 2015 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
frreiss/tensorflow-fred
tensorflow/python/ops/gradients_util.py
Python
apache-2.0
40,873
[ "VisIt" ]
f26aecbefb7fb35333942ad97945cdea9ba2284d2ac866cb1ae8c41fe5408e02
#!/usr/bin/env python3 import torch class _feature_flag(object): _state = False @classmethod def on(cls): return cls._state @classmethod def off(cls): return not cls._state @classmethod def _set_state(cls, state): cls._state = state def __init__(self, state...
jrg365/gpytorch
gpytorch/settings.py
Python
mit
20,168
[ "Gaussian" ]
00c18c0fc65e1dd02e92f46b8bca9c7f03b4ab39f35a05e2299d6d1d0ec24446
# Copyright 2010 Google 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, publish, dis- # trib...
matthappens/taskqueue
taskqueue/venv_tq/lib/python2.7/site-packages/boto/gs/key.py
Python
mit
42,415
[ "VisIt" ]
f5f22a1b54733c212399512bde0047feea8beaebcaec2eb8870bee3c7704fa0f
""" Copyright (c) 2014 Brian Muller Copyright (c) 2015 OpenBazaar """ import heapq from operator import itemgetter from protos import objects class Node(object): def __init__(self, node_id, ip=None, port=None, pubkey=None, relay_node=None, nat_type=None, vendor=False): self.id = node_id ...
saltduck/OpenBazaar-Server
dht/node.py
Python
mit
4,175
[ "Brian" ]
82b7369279f3637d8fbcb1097c390eae2dcec2b7498af0099c49bc609671f5e1
#!/usr/bin/env python3 # coding:utf-8 # Based on GAppProxy 2.0.0 by Du XiaoGang <dugang.2008@gmail.com> # Based on WallProxy 0.4.0 by Hust Moon <www.ehust@gmail.com> # Contributor: # Phus Lu <phus.lu@gmail.com> # Hewig Xu <hewigovens@gmail.com> # Ayanamist Yang <ayanamist@gmail.com>...
Suwmlee/XX-Net
gae_proxy/local/proxy.py
Python
bsd-2-clause
11,261
[ "VisIt" ]
90b489de07f3d02de70f2455c4a8ce3a387116f0bd80c9348d072926b0b2d206
#!/home/paulk/software/bin/python from __future__ import division from sys import argv,exit,stderr from key_functions import * import pysam from cPickle import load f = open("resources/exons.hg19.Ens66.0-based.pic") exons = load(f) f.close() print "exon\tincl\texcl\ttotal\tupintrlen\texonlen\tdownintrlen" f = open("t...
polarise/RP-python
intronLen2ExonInclRate.py
Python
gpl-2.0
862
[ "pysam" ]
27eab0a1f4f01a7327bcc3d4a95d5223e979019915ff7217709846392aa9502d
# ----------------------------------------------------------------------------- # Copyright (c) 2013--, scikit-bio development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file COPYING.txt, distributed with this software. # -------------------------------------------...
Kleptobismol/scikit-bio
skbio/parse/sequences/clustal.py
Python
bsd-3-clause
3,294
[ "scikit-bio" ]
ba6e1e6643a1dc091eec83770bcfdff4164f97a706ced4911b116f9a2e3b2703
""" /****************************************************************************** This source file is part of the Avogadro project. Copyright 2013 Kitware, Inc. This source code is released under the New BSD License, (the "License"). Unless required by applicable law or agreed to in writing, software di...
cjh1/mongochemweb-avogadrolibs
avogadro/qtplugins/quantuminput/inputGenerators/gamessuk.py
Python
bsd-3-clause
5,941
[ "Avogadro", "GAMESS" ]
b8c63a84d8e8b965ad0c7659f792f15e4c04de8f382209bf2e0e1ef318d1583b
#!/usr/bin/env python from pymatgen.io.vasp import Poscar import cProfile import pstats import os import logging logging.basicConfig(level=logging.DEBUG) p = Poscar.from_file("../test_files/POSCAR.LiFePO4", check_for_POTCAR=False) s = p.structure def test(): nn = s.get_all_neighbors(20) print len(nn) def c...
matk86/pymatgen
dev_scripts/profile_structure.py
Python
mit
949
[ "VASP", "pymatgen" ]
008853eb1ae304d90cde113b63c6dae1af2f1d66502727103d85bc77913348ef
import click import os import requests import sys import json from soccer import leagueids from soccer.exceptions import IncorrectParametersException, APIErrorException from soccer.writers import get_writer BASE_URL = 'http://api.football-data.org/alpha/' LIVE_URL = 'http://soccer-cli.appspot.com/' LEAGUE_IDS = leag...
thurask/soccer-cli
soccer/main.py
Python
mit
11,507
[ "VisIt" ]
aacce4295ff475e9674341bea511d19ff7d98511e9b9ba4f0a3af75bca4abbbb
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.conf.urls.static import static from django.views import defaults as default_views from django.conf.urls import include, url from django.conf import settings from django.conf.urls.i18n import i18n_patterns from django.contrib import admin from...
jeremy-c/unusualbusiness
config/urls.py
Python
bsd-3-clause
1,693
[ "VisIt" ]
3019c7f99d9f3cd8507b008c2580690563bb1106ddfc107d6e6f0e990fd4a813
from __future__ import absolute_import import logging import click import cachetools try: import cPickle as pickle except ImportError: import pickle from copy import deepcopy from pathlib import Path from pandas import to_datetime from datetime import datetime import datacube from datacube.api.core import Dat...
ceos-seo/Data_Cube_v2
agdc-v2/datacube/scripts/ingest.py
Python
apache-2.0
11,891
[ "NetCDF" ]
5e870ddae3e1e7095c3e4f17d7caeb20684a56f588ad146c3379ee80e413e5e1
""" Use the greedy-terrain-decimator to display a decimated terrain view. This example illustrates decimating a terrain. We use the greedy-terrain-decimator to create a reduced mesh with an optimized grid that approximates the initial regular grid. The initial grid is displayed in white, and the optimized grid is dis...
liulion/mayavi
examples/mayavi/mlab/canyon_decimation.py
Python
bsd-3-clause
3,293
[ "Mayavi" ]
8b60bea759a74796a30b8499ae49a064c4c6b8e957cf3461fd05d01dcb98516d