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import argparse import numpy as np from datetime import datetime import sklearn.gaussian_process as gp import matplotlib.pyplot as plot import parser as gcparser import os import os.path import running def main(indir, outdir): """ Main driver method. """ # Generate a list of all the files. listing ...
magsol/garmin
gp.py
Python
mit
3,648
[ "Gaussian" ]
93fc88e11f23e3fd3d181a407bf98196987a67aac37ef4d3f7b7252dbd1f4439
import sugartensor as tf __author__ = 'namju.kim@kakaobrain.com' # set log level to debug tf.sg_verbosity(10) # # hyper parameters # batch_size = 32 # batch size num_dim = 50 # latent dimension # # inputs # # MNIST input tensor ( with QueueRunner ) data = tf.sg_data.Mnist(batch_size=32) # input images ...
buriburisuri/sugartensor
sugartensor/example/mnist_vae.py
Python
mit
1,452
[ "Gaussian" ]
ba37f6de33b52faa962d6c161edfcb290484597d0873f71a96ac2c6cc06c5e91
# Copyright 2016 James Hensman # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to in writing, so...
jameshensman/VFF
experiments/mcmc_pines/plot_pines.py
Python
apache-2.0
2,449
[ "Gaussian" ]
3c09735a3438cb7246beeebc75c3d238cbea7e14fddcc17f9b2a93acb67fa22e
import os import parabem import numpy class CaseToVTK(): def __init__(self, case, _dir, suffix=None): """automatic export of a case""" self.case = case self.make_sure_path_exists(_dir) self._dir = _dir self.suffix = "" if suffix: self.suffix = "_" + suff...
looooo/panel-method
parabem/vtk_export/__init__.py
Python
gpl-3.0
9,746
[ "VTK" ]
2275c0a3c90e37ecb244f60f728d397452e2b93b37e9a01c18c95e23c716ea7b
from math import pi import numpy as np from ase.atoms import Atoms def make_test_dft_calculation(): a = b = 2.0 c = 6.0 atoms = Atoms(positions=[(0, 0, c / 2)], symbols='H', pbc=(1, 1, 0), cell=(a, b, c), calculator=TestCalculator()...
slabanja/ase
ase/calculators/test.py
Python
gpl-2.0
4,190
[ "ASE" ]
0784632f64b657d175ff1cdc6e2135613abdf5aa5529cb4f11a8eb0e043e48b6
"""Collection of :class:`~chainer.Function` implementations.""" from chainer.functions.activation import clipped_relu from chainer.functions.activation import elu from chainer.functions.activation import leaky_relu from chainer.functions.activation import log_softmax from chainer.functions.activation import lstm from ...
cemoody/chainer
chainer/functions/__init__.py
Python
mit
8,284
[ "Gaussian" ]
d2fca82b8a45673d8d23335be4fe6e2ebb3b0212edb968e1adbc314914ebfdd0
#!/usr/bin/env python3 # -*- coding: utf-8 -*- """This is a demonstration of a small domain-specific language for building strings up out of other strings. You can define variables that are equal to literal strings or built up out of other variables. Evaluating a program will return a dictionary of all the variables ...
codeyash/plugins
PyPlugins/PhpParser/py/string_expression_language.py
Python
apache-2.0
4,427
[ "VisIt" ]
33a22bfd4de3b17bed14536e5a14194ed95457e8357abd5ae206d62e9c47668f
"""Metrics to assess performance on classification task given class prediction. Functions named as ``*_score`` return a scalar value to maximize: the higher the better. Function named as ``*_error`` or ``*_loss`` return a scalar value to minimize: the lower the better. """ # Authors: Alexandre Gramfort <alexandre.gr...
anntzer/scikit-learn
sklearn/metrics/_classification.py
Python
bsd-3-clause
97,201
[ "Brian" ]
0c6248cd4e072eeaea7a933ee870985f89f1d407967760792e313f38b5da6538
from mumax2 import * # Standard Problem 4 # define geometry # number of cells Nx = 32 Ny = 32 Nz = 32 setgridsize(Nx, Ny, Nz) # physical size in meters sizeX = 160e-9 sizeY = 160e-9 sizeZ = 160e-9 setcellsize(sizeX/Nx, sizeY/Ny, sizeZ/Nz) # load modules load('exchange6') load('demag') load('zeeman') load('llg') ...
mumax/2
tests/exch-bench.py
Python
gpl-3.0
1,501
[ "VTK" ]
491642f12e1b08d3f7cbd3085cb37bdc08e5f0ffbe615c18c79d1af3b9396ea7
import random from bot import Command, utils, categories url_settings = { 'cat': ['http://aws.random.cat/meow', ['gato', 'gatito', 'neko'], 'file'], 'dog': ['https://dog.ceo/api/breeds/image/random', ['perro', 'perrito', 'doggo'], 'message'], 'shiba': ['http://shibe.online/api/shibes', ['shibe', 'shibainu...
jvicu2001/alexis-bot
modules/animals.py
Python
mit
2,408
[ "MOE" ]
0fb0a4166779abcf09115e259199474abd5dcc5e36ea0ba76d8fd454b4ce7c77
""" VolumeVisualizationRamp :Authors: Berend Klein Haneveld """ from VolumeVisualization import VolumeVisualization from VolumeVisualization import VisualizationTypeRamp from vtk import vtkVolumeProperty from vtk import vtkColorTransferFunction from vtk import vtkPiecewiseFunction from PySide.QtGui import QWidget fro...
berendkleinhaneveld/Registrationshop
ui/visualizations/VolumeVisualizationRamp.py
Python
mit
2,500
[ "VTK" ]
544c81bd10e39fee3c44e9bb6e6e2b06da1e0ef31ec92304037e1659eb6e43d3
# -*- coding: utf-8 -*- from __future__ import (absolute_import, division, print_function, unicode_literals) from .core import UnitedStates # FIXME: According to wikipedia, Kansas only has all federal holidays, except # the Columbus Day and Washington's Birthday. # Unfortunately, other sources...
sayoun/workalendar
workalendar/usa/kansas.py
Python
mit
882
[ "COLUMBUS" ]
ddbc456cafd778b8a37f79bf8d72084caf835b1f322f5675573946f0617daf74
# Prepare a cut-down version of the World Ocean Atlas 2018 salinity # data to use with the AddSalinityPreprocessor. # Input files are 0.25° seasonal files for the years 2005-2017, # available from https://www.nodc.noaa.gov/cgi-bin/OC5/woa18/woa18.pl # Files are: # # woa18_A5B7_s13_04.nc - Winter (DJF) = Season 1 # wo...
BjerknesClimateDataCentre/QuinCe
external_scripts/NRT/salinity_data/prepare_salinity.py
Python
gpl-3.0
2,813
[ "NetCDF" ]
5135effb96c9ff74bcf8d6c448fea2f303af7ed05cc613542a8f2668f880f2a3
from __future__ import print_function import os import sys import numpy as np from distutils.core import setup, Extension, setup_keywords from distutils.sysconfig import get_config_var sys.path += [ "." ] from config import get_system_config data_files = [] # data files & folders (folders nest only two levels down...
pekkosk/hotbit
setup.py
Python
gpl-2.0
3,232
[ "ASE" ]
c49b1bbd15cc02d242fe13e368a0cc5d1302c673c646ad5b3cded0078d824b14
# Lint as: python2, python3 # 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 # ...
davidzchen/tensorflow
tensorflow/tools/compatibility/tf_upgrade_v2_test.py
Python
apache-2.0
101,974
[ "Gaussian" ]
989eb0d149db9847a0395b0ba9a03041d42693061d66ed31cc2d171e7876cc06
# -*- coding: utf-8 -*- import os import tempfile import types import json from mock import patch from nose.tools import eq_ from helper import TestCase import appvalidator.constants from appvalidator.errorbundle import ErrorBundle from appvalidator.specs.webapps import WebappSpec import appvalidator.webapp class T...
mozilla/app-validator
tests/test_webapp.py
Python
bsd-3-clause
55,619
[ "exciting" ]
7d2070c4d405e7a6766aef617491988fe6f5dad5661939f00a5e958a53924910
# Copyright (C) 2010, Jesper Friis # (see accompanying license files for details). """Definition of the Spacegroup class. This module only depends on NumPy and the space group database. """ import os import warnings import numpy as np __all__ = ['Spacegroup'] class SpacegroupError(Exception): """Base excepti...
JConwayAWT/PGSS14CC
lib/python/multimetallics/ase/lattice/spacegroup/spacegroup.py
Python
gpl-2.0
25,861
[ "ASE", "CRYSTAL" ]
68dc83fa27ab74c42aa105cc22f572d655ee798a924632bf2f0738f2f49ea0ba
#!/usr/bin/env python ''' setup board.h for chibios ''' import argparse, sys, fnmatch, os, dma_resolver, shlex, pickle, re import shutil parser = argparse.ArgumentParser("chibios_pins.py") parser.add_argument( '-D', '--outdir', type=str, default=None, help='Output directory') parser.add_argument( '--bootloade...
night-ghost/ardupilot
libraries/AP_HAL_ChibiOS/hwdef/scripts/chibios_hwdef.py
Python
gpl-3.0
49,714
[ "CRYSTAL" ]
3a76977591b8cafbd8e732d0fded15d62a23dae460295c39fa7fe3b767e5e2c6
############################################################################## # 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...
krafczyk/spack
var/spack/repos/builtin/packages/r-mzid/package.py
Python
lgpl-2.1
2,214
[ "Bioconductor" ]
f8025f3c36e34a63817c8182d3ac06ed3c464a24c5087f9dad9c4638a3c032e0
#!/usr/bin/env python # Family size distribution of tags which were aligned to the reference genome # # Author: Monika Heinzl & Gundula Povysil, Johannes-Kepler University Linz (Austria) # Contact: monika.heinzl@edumail.at # # Takes at least one TABULAR file with tags before the alignment to the SSCS, # a BAM file wit...
natefoo/tools-iuc
tools/fsd/fsd_regions.py
Python
mit
12,083
[ "pysam" ]
2e8677f8adbc78dc9e33e82cb911926c30f0b74fd2b429110abde99938ce5a9d
# Authors : Denis A. Engemann <denis.engemann@gmail.com> # Alexandre Gramfort <alexandre.gramfort@inria.fr> # # License : BSD-3-Clause from copy import deepcopy import numpy as np from ..io.pick import _pick_data_channels, pick_info from ..utils import verbose, warn, fill_doc, _validate_type from ..paralle...
wmvanvliet/mne-python
mne/time_frequency/_stockwell.py
Python
bsd-3-clause
9,627
[ "Gaussian" ]
4e88170cf41662924346ba324832cff4a4a0ea3533d6dfdbece22c8548328fc9
#!/usr/bin/env pythonfx # # This file is part of FIREwork # # FIREwork is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later version. # # FIREwork is...
hksonngan/astir.firework
utils/filter.py
Python
gpl-3.0
13,249
[ "Gaussian" ]
1ab2cd640096c7e8bb44d607b5024a31bb8f436a807549f39d46dbee1e3a924f
#!/usr/bin/env python2 import os.path import subprocess import sys import urllib KEY_FILE = "submit.token" def main(filename): # Prompt for key if missing if not os.path.exists(KEY_FILE): print "Please visit http://css.csail.mit.edu/6.858/2015/labs/handin.html" print "and enter your API key." ...
rychipman/858-labs
submit.py
Python
mit
1,317
[ "VisIt" ]
0018111be1e24044bffe32e80ec751d41128c8e77ad5488fcdb8847ea3541680
#!/usr/bin/env python # test --create command += oiiotool ("--create 320x240 3 -d uint8 -o black.tif") command += oiiotool ("--stats black.tif") # test --pattern constant command += oiiotool ("--pattern constant:color=.1,.2,.3,1 320x240 4 -o constant.tif") command += oiiotool ("--stats constant.tif") # test --patte...
OpenImageIO/oiio
testsuite/oiiotool-pattern/run.py
Python
bsd-3-clause
3,464
[ "Gaussian" ]
925daec2b1d2cc6d6865efde7bae479518f8453fbf998ca9db15ce98a0974c32
# coding: utf-8 # 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. R"""Simulate rounded, faceted shapes in molecular dynamics. The DEM component provides forces which apply short-range, purely repulsive interacti...
joaander/hoomd-blue
hoomd/dem/__init__.py
Python
bsd-3-clause
2,758
[ "HOOMD-blue" ]
5ad9b68e90c3b78546c96e3bb55613b5ad453974d162c68a75f9e52b2f71b16b
#!/usr/bin/env python # -*- coding: utf-8 -*- # # infile_maker.py # # Copyright 2016 Carlos Eduardo Sequeiros Borja <casebor@gmail.com> # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation;...
casebor/labioscripts
python/infile_maker.py
Python
gpl-3.0
12,974
[ "Amber" ]
8875e2ad3b1e15abeb7633bfd510ce78a07b552e0b0d917eab5d2cec5892fcf4
import unittest import numpy as np import pysal from pysal.spreg.twosls import TSLS, BaseTSLS from scipy import sparse as SP class TestBaseTSLS(unittest.TestCase): def setUp(self): db = pysal.open(pysal.examples.get_path("columbus.dbf"),'r') self.y = np.array(db.by_col("CRIME")) self.y = n...
spreg-git/pysal
pysal/spreg/tests/test_twosls_sparse.py
Python
bsd-3-clause
14,544
[ "COLUMBUS" ]
bf472607afd7bd65e0c0bc91c3f1d7c4f1cd7665c49c5de5c6088dfe7afb0991
#!/usr/bin/env python """Catalysis Micro-kinetic Analysis Package (CatMAP)""" import os try: from setuptools import setup except ImportError: from distutils.core import setup from catmap import __version__ as version maintainer = 'Andrew J. Medford' maintainer_email = 'ajmedfor@slac.stanford.edu' author = mai...
chuanshi/catmap
setup.py
Python
gpl-3.0
2,231
[ "ASE" ]
ef4ef5159c351add65821baa9adbb6837d203848da3f907ccbac5c136154b554
""" atsp.py: solve the asymmetric traveling salesman problem formulations implemented: - mtz -- Miller-Tucker-Zemlin's potential formulation - mtz_strong -- Miller-Tucker-Zemlin's potential formulation with stronger constraint - scf -- single-commodity flow formulation - mcf -- multi-commodity flow fo...
mattmilten/PySCIPOpt
examples/finished/atsp.py
Python
mit
8,748
[ "VisIt" ]
8d0cc889cfdcaead83151a36a3c325ee8ae601e8a24cff751e20f206903a2918
# Copyright 2013 by Leighton Pritchard. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """ This module provides code to work with data from the KEGG database. References: Kan...
Ambuj-UF/ConCat-1.0
src/Utils/Bio/KEGG/KGML/__init__.py
Python
gpl-2.0
468
[ "Biopython" ]
681ddaeec7cad6b94204316a0ae6a01a763bb2887fc3d1ac45ec205a28843633
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/transitions
openlp/plugins/bibles/lib/versereferencelist.py
Python
gpl-2.0
5,402
[ "Brian" ]
8eb6c7194d03198067b0d1eeaf0e591aa65547dcbf750f811dcb453fe85d7af2
#!/usr/bin/env python # -*- coding: utf-8 -*- """ background: - Pictures exported from iPhoto do not have their original date in the finder. - This info is hidden in exif - this has to do with the daily photo app on iOS This script - loops over images in a folder (exported from iPhoto) - extracts date-time-stamp fro...
clausTue/stamp_daily_images
process_iPhone_exports.py
Python
gpl-2.0
4,124
[ "Mayavi" ]
9603ad2d12801545e3c79bec0b1097122dfed20afc9f97b77585ddbb0de1f553
# ----------------------------------------------------------------------------- # Copyright (c) 2015 Ralph Hempel <rhempel@hempeldesigngroup.com> # Copyright (c) 2015 Anton Vanhoucke <antonvh@gmail.com> # Copyright (c) 2015 Denis Demidov <dennis.demidov@gmail.com> # Copyright (c) 2015 Eric Pascual <eric@pobot.org> # # ...
dwalton76/ev3dev-lang-python
ev3dev2/led.py
Python
mit
20,477
[ "Amber" ]
e80ffc1dc9f956c6d923ef7d234d14c8831ad4187398ced87b159f0da128ba34
""" Fit redshifts and classifications on DESI bricks """ import sys import os import numpy as np import multiprocessing import traceback from desispec import io from desispec.interpolation import resample_flux from desispec.log import get_logger, WARNING from desispec.zfind.redmonster import RedMonsterZfind from des...
timahutchinson/desispec
py/desispec/scripts/zfind.py
Python
bsd-3-clause
14,535
[ "Galaxy" ]
6f031aa1b389662e731fcac7f6e1e3f9d23342447f264578f578f21e061fbfbc
#!/usr/bin/python # -*- coding: utf-8 -*- """This module defines an interface to CASTEP for use by the ASE (Webpage: http://wiki.fysik.dtu.dk/ase) Authors: Max Hoffmann, max.hoffmann@ch.tum.de Jörg Meyer, joerg.meyer@ch.tum.de """ __all__ = [ 'Castep', 'CastepCell', 'CastepParam', 'create_...
JConwayAWT/PGSS14CC
lib/python/multimetallics/ase/calculators/castep.py
Python
gpl-2.0
76,859
[ "ASE", "CASTEP" ]
73270e3d993fc5e618acceb640202e4cedca9defc9233ac1a99fc62fe2c9cfb9
"""Migration script to add status and error_message columns to the tool_shed_repository table.""" from sqlalchemy import * from sqlalchemy.orm import * from migrate import * from migrate.changeset import * import datetime now = datetime.datetime.utcnow # Need our custom types, but don't import anything else from mode...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/galaxy/model/migrate/versions/0103_add_tool_shed_repository_status_columns.py
Python
gpl-3.0
2,843
[ "Galaxy" ]
29da31a94acc0aa91f95545495e86de7417a2b42ed652f70d77826ef91954801
############################################################################## # 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...
krafczyk/spack
var/spack/repos/builtin/packages/r-iranges/package.py
Python
lgpl-2.1
2,378
[ "Bioconductor" ]
7afea282c4717802d0cf183a36ee64417b8f2e59460f1d0b2e937fde72e03f84
# 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. """Some Bio.PDB-specific exceptions.""" # General error class PDBException(Exception): ...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/PDB/PDBExceptions.py
Python
gpl-2.0
513
[ "Biopython" ]
30ea8fed8beafe36eb21d7b7cb649683864ef99f880a9ad3727717f27495dde1
# -*- coding: utf-8 -*- import sys reload(sys) sys.setdefaultencoding('utf-8') from BrowserFactory import BrowserFactory if __name__ == '__main__': # 1 new factory object factory = BrowserFactory() # 2 create object browser = factory.create('BrowserUrllib2') # browser = factory.create('BrowserP...
xtuyaowu/jtyd_python_spider
browser_interface/browser/demo.py
Python
mit
510
[ "VisIt" ]
d86731234255bf37473cdc89087409164657e3fef6dd1b21eab51ddcda3561c8
# proxy module from __future__ import absolute_import from mayavi.modules.text3d import *
enthought/etsproxy
enthought/mayavi/modules/text3d.py
Python
bsd-3-clause
90
[ "Mayavi" ]
34a7f41e76d3d4ccbc3fa37b2712087e86281dae1edc2d46a3de102db3a22ee4
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2012 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU General Public License as published by ## the Free Software Foundati...
andrebellafronte/stoq
stoqlib/gui/test/test_purchase_wizard.py
Python
gpl-2.0
7,958
[ "VisIt" ]
3739cd7b718c4ac78f91fd652b9cfdb5fb74392cdc2f88001e3d38500e102b96
import gflags import httplib2 import re, sys, datetime days = ["Mon", "Tue","Wed","Thu","Fri"] ## GCAL SETUP ## from apiclient.discovery import build from oauth2client.file import Storage from oauth2client.client import OAuth2WebServerFlow from oauth2client.tools import run from dateutil.relativedelta import relativ...
FloatingGhost/GCalTimetable
Scanner.py
Python
gpl-2.0
5,203
[ "VisIt" ]
b4f635c6fc6ebfcdfbdae7692f7d96987c7d7505e6cf67e5118cdcdc31fc5d7a
class Neuron: outSynapse = list()
Nakou/MARVIN
neuronal/Neuron.py
Python
mit
43
[ "NEURON" ]
ec67291c131593d15f911259969b98162021616cba636543904c57a985bed852
import os import os.path import sys sys.path.insert(0, os.path.abspath('lib')) from ansible.release import __version__, __author__ try: from setuptools import setup, find_packages except ImportError: print("Ansible now needs setuptools in order to build. Install it using" " your package manager (usua...
tux-00/ansible
setup.py
Python
gpl-3.0
3,659
[ "Galaxy" ]
c5651fc3d5a9a8eb5d7a430e04f88c8d61b479411f6378534bffa5de2289df60
""" Description: Provides a pyGtk vtkRenderWindowInteractor widget. This embeds a vtkRenderWindow inside a GTK widget and uses the vtkGenericRenderWindowInteractor for the event handling. This is based on vtkTkRenderWindow.py. The class uses the gtkgl.GtkGLArea widget (gtkglarea). This avoids ...
timkrentz/SunTracker
IMU/VTK-6.2.0/Wrapping/Python/vtk/gtk/GtkVTKRenderWindowInteractor.py
Python
mit
10,171
[ "VTK" ]
d75b508588bf8460f82582c8e69b05ed1fb5c9e30f50b2ff459b88692d161e53
"""A module that contains a base class that has helper methods for testing PyT.""" import unittest from pyt.cfg import make_cfg from pyt.core.ast_helper import generate_ast from pyt.core.module_definitions import project_definitions from pyt.core.transformer import PytTransformer class BaseTestCase(unittest.TestCase...
python-security/pyt
tests/base_test_case.py
Python
gpl-2.0
1,226
[ "VisIt" ]
e99870b74e5e627a2189777e3a7d6a1691842f8e73ec924d0be986df2a84f5cc
# -*- coding: utf-8 -*- """ @file bible/api.py @author Brian Kim @brief the definition of routes for the api """ from flask import Blueprint, request, abort import controller, methods, model from util import * import traceback as tb api = Blueprint('api',__name__) parse_dispatch = { 'lang' : controller.p...
briansan/bible
bible/api.py
Python
bsd-2-clause
4,238
[ "Brian" ]
0936bbf8da571de22b7f47310602cb120ead47b33ead77a76569c11eed2b5bba
import numpy as np import ctypes as ct import ast from ctree.jit import LazySpecializedFunction, ConcreteSpecializedFunction from ctree.transformations import PyBasicConversions from ctree.transforms.declaration_filler import DeclarationFiller from ctree.c.nodes import CFile import ctree.c.nodes as C from ctree.nodes ...
ucb-sejits/ctree
examples/hwacha.py
Python
bsd-2-clause
13,736
[ "VisIt" ]
d35b82e4cdf80764171dad80a699fb435ec1b1f28ec94e32c93429fc400545eb
# # mainTab # tab = self.notebook.mainTab tab.settings['Program'] = 'castep' tab.settings['Output file name'] = 'phonon.castep' # # SettingsTab # tab = self.notebook.settingsTab tab.settings['Eckart flag'] = False tab.settings['Neutral Born charges'] = False tab.settings['Sigma value'] = 10 tab.settings['Mass definitio...
JohnKendrick/PDielec
Examples/Castep/MgO/script.py
Python
mit
2,364
[ "CASTEP" ]
57947a1a5d9381f0f8d2e1e2815b3fc83fc28e99c02a609b28c21571238f100d
from Sire.Tools import Nautilus from Sire.Tools import readParams import Sire.Config import argparse import os import sys parser = argparse.ArgumentParser(description="Subgrids, subtracts grids in dx format to get differences where gridf.dx-" "gridl.dx=diff.dx. Grids mus...
michellab/Sire
wrapper/python/scripts/nautilus-subgrids.py
Python
gpl-2.0
3,048
[ "MDTraj", "VisIt" ]
89d9bf770dde947aaf1b14cc8f9be13f0e91b410224ee13ad6556abd935f5084
from director import objectmodel as om from director import visualization as vis from director import vtkAll as vtk from director import transformUtils from director import filterUtils from director.timercallback import TimerCallback class AffordanceGraspUpdater(object): def __init__(self, robotModel, ikPlanner, ...
patmarion/director
src/python/director/affordanceupdater.py
Python
bsd-3-clause
7,248
[ "VTK" ]
95959fb18370be93b9d9908ce73f8508d49b33ad9eb5decf4e89d94394aa45b1
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() ren1 = vtk.vtkRenderer() renWin = vtk.vtkRenderWindow() renWin.AddRenderer(ren1) iren = vtk.vtkRenderWindowInteractor() iren.SetRenderWindow(renWin) # read data # reader = vtk.vtkStr...
ashray/VTK-EVM
Filters/Geometry/Testing/Python/officeStreamPoints.py
Python
bsd-3-clause
10,816
[ "VTK" ]
a29fb65c7e070c46dfd8a722c86a0cfc9f165ab0e3f3f312a55bf69becfc1c61
import pybel from datanator_query_python.util import mongo_util import pymongo import numpy as np import multiprocessing as mp import datanator.config.core from datanator.util import chem_util class CalcTanimoto(mongo_util.MongoUtil): '''Calculating the Tanimoto similarity matrix given two compound co...
KarrLab/kinetic_datanator
datanator/util/calc_tanimoto.py
Python
mit
9,777
[ "Pybel" ]
9b31c3a5d86538b79eafd6fc1edec61eadc46b04e2f9a8d7e9d46bcf38e923bc
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageEuclideanDistance(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
nagyistoce/devide
modules/vtk_basic/vtkImageEuclideanDistance.py
Python
bsd-3-clause
507
[ "VTK" ]
b8c70f2a9a0ae9d20c605f5f92537c030cec40a4565ccd92482102e8c6b38575
# -*- coding: utf-8 -*- # Copyright 2012 Jerry Peng # # Tomate is a time management tool inspired by the # pomodoro technique(http://www.pomodorotechnique.com/). # # Tomate 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...
moonranger/tomate
tomate/timequotes.py
Python
gpl-3.0
7,739
[ "Brian" ]
e170e08e63a02a94d9699b18d959ed0517cd52c8a91012d99e05a45735f83711
#!/usr/bin/env python """ An animated image """ from __future__ import (absolute_import, division, print_function) import netCDF4 as nc4 import numpy as np import pysgrid from datetime import timedelta import matplotlib.pyplot as plt import matplotlib.animation as animation from matplotlib.animation import FFMpegWri...
NOAA-ORR-ERD/pysgrid
demos/matlabanim.py
Python
bsd-3-clause
7,903
[ "NetCDF" ]
e82e65ec067b287f33ad759d79af1d5bdd69ae422054629661c41cc6cdea969a
#=============================================================================== # LICENSE XOT-Framework - CC BY-NC-ND #=============================================================================== # This work is licenced under the Creative Commons # Attribution-Non-Commercial-No Derivative Works 3.0 Unported Lic...
SMALLplayer/smallplayer-image-creator
storage/.xbmc/addons/net.rieter.xot.smallplayer/resources/libs/settings.py
Python
gpl-2.0
4,602
[ "VisIt" ]
df7cf8b18fa6d7223929e8f4529d86f8064d6db59c9d593029e1a0d98688a9ce
""" :mod: Pfn .. module: Pfn :synopsis: pfn URI (un)parsing .. moduleauthor:: Krzysztof.Ciba@NOSPAMgmail.com """ from __future__ import absolute_import from __future__ import division from __future__ import print_function __RCSID__ = "$Id$" # # imports import os from urllib import parse # # from DIRAC from DIRAC...
ic-hep/DIRAC
src/DIRAC/Core/Utilities/Pfn.py
Python
gpl-3.0
7,782
[ "DIRAC" ]
cfb7d31058a385e14b30ebadaea79d740e12fa78b4f1b17dcd017785e32640b8
# $HeadURL$ __RCSID__ = "$Id$" from DIRAC.FrameworkSystem.Client.Logger import Logger class SubSystemLogger( Logger ): def __init__( self, subName, masterLogger, child = True ): Logger.__init__( self ) self.__child = child self._minLevel = masterLogger._minLevel for attrName in dir( masterLogger ):...
Andrew-McNab-UK/DIRAC
FrameworkSystem/private/logging/SubSystemLogger.py
Python
gpl-3.0
872
[ "DIRAC" ]
51a2a2dbd5b9a9f392b519b5645e3673e9a0ce280d7248a6a249f5ba18806dd3
#%% DEMO 03: Generate sample data and add realistic CT noise to it. # # This demo will show how to generate sample data for image reconstruction # # # -------------------------------------------------------------------------- # -------------------------------------------------------------------------- # This file is pa...
CERN/TIGRE
Python/demos/d03_generateData.py
Python
bsd-3-clause
2,012
[ "Gaussian" ]
be23e811720fbc937937cea7179de54749bd09033d7f923af614a3ee9317fab0
# # Copyright (c) Brian C. Welch. www.brianwelch.se # All rights reserved. # Licensed under the MIT License. # Persons are free to reproduce this code provided # they do not removed this header # + + + + + + + + + + + + + + + + def binary_calc(digit_in): '''converting an integer into a binary''' binary_di...
brian-welch/Code-Snippets
binary_number_convertor.py
Python
mit
739
[ "Brian" ]
cb73206dfce5a18d9789c9c65ca77d0f96157d9487c58d1e4379a550a9a7c2cc
from __future__ import absolute_import import numpy as nm import sfepy.discrete.fem.periodic as per from sfepy.discrete.fem.mesh import Mesh from sfepy.mechanics.matcoefs import stiffness_from_youngpoisson from sfepy.homogenization.utils import define_box_regions import sfepy.homogenization.coefs_base as cb from sfepy...
sfepy/sfepy
examples/homogenization/homogenization_opt.py
Python
bsd-3-clause
5,071
[ "VTK" ]
48888d9e981a943b1db547c983150d377065bb08aa62a6aeb69d00075e6c9d29
#!/usr/bin/env python3 ########### # # Created by Bruno Costa @ITQB # 24/04/2017 # This allows the extraction of specific coordinates from a fasta file # ############ import argparse import re parser = argparse.ArgumentParser(description='This allows the extraction of specific coordinates from a fasta file') ## bla...
netbofia/Fasta_extractor
splice_fasta.py
Python
mit
2,195
[ "BLAST" ]
cf54e41f06b8b3c89add9ca05b333b110fd279c457ec66e20c677e92bfed7739
""" codecs -- Python Codec Registry, API and helpers. Written by Marc-Andre Lemburg (mal@lemburg.com). (c) Copyright CNRI, All Rights Reserved. NO WARRANTY. """ # " import __builtin__, sys # ## Registry and builtin stateless codec functions try: from _codecs import * except ImportError, why: raise Syste...
ppyordanov/HCI_4_Future_Cities
Server/src/virtualenv/Lib/codecs.py
Python
mit
35,196
[ "FEFF" ]
ef6c908e742337b8bfd224f397fafd2e11e929df6a7a8f9b68ace8f13525180c
from ob_pipelines import s3 import pysam import sys @s3.s3args() def dedupe_by_pos_strand(infile, outfile): infile = pysam.AlignmentFile(infile, 'rb') outfile = pysam.AlignmentFile(outfile, 'wb', template=infile) pos_list = set() for aln in infile: pos_strand = (aln.reference_start, aln....
outlierbio/ob-pipelines
ob_pipelines/apps/pysam/dedupe.py
Python
apache-2.0
721
[ "pysam" ]
5bbb87827a63c959f81537891006c64a342827a58ef7ab3a2b0f90a2b54e5d4f
# Copyright (c) 2012 The Chromium Authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. """Top-level presubmit script for Chromium. See http://dev.chromium.org/developers/how-tos/depottools/presubmit-scripts for more details about the presu...
loopCM/chromium
PRESUBMIT.py
Python
bsd-3-clause
36,636
[ "VisIt" ]
153987a4065ddebfc8fb74d7b15359e199b3b8474e711a72eed12b4b61cc92cf
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Robert McGibbon # Contributors: # # MDTraj is free software: y...
tcmoore3/mdtraj
mdtraj/reporters/dcdreporter.py
Python
lgpl-2.1
2,912
[ "Amber", "CHARMM", "MDTraj", "NAMD", "NetCDF", "OpenMM" ]
097e7ed8201c197fc5d191871690265790a0af1607488a2886a4493012dc0052
''' An implementation of the Fully Adapted Auxiliary Particle Filter as described by Whiteley and Johansen Chapter 3 Algorithm 2 on page 5 of Recent Developments in Auxiliary Particle Filtering: http://www.maths.bris.ac.uk/~manpw/apf_chapter.pdf The algorithm is taylored to perform inference in nonlinear dynamical sys...
amoretti86/auxiliary-particle-filter
apf_fhn.py
Python
mit
6,209
[ "Gaussian" ]
9613590e4ccedc1cbe3ad7178fa98650834af7396725b04c4d62cc47fb5f053a
import numpy as np class QIFNetwork: """ Network of quadratic integrate-and-fire neurons. """ def __init__(self, _neuronsPerLayer, _Dmax): """ Initialise network with given number of neurons Inputs: _neuronsPerLayer -- List with the number of neurons in each layer. A list ...
pmediano/ComputationalNeurodynamics
Fall2015/Exercise_2/Solutions/QIFNetwork.py
Python
gpl-3.0
3,697
[ "NEURON" ]
b75faa17f5106034f8f55d9cb4ae730ba49964229c0019514e123e68a5674d1f
import gtk import goocanvas import cairo LEFT = 50.0 RIGHT = 350.0 MIDDLE = 150.0 DEFAULT_WIDTH = 2 DEFAULT_SHAPE_A = 4 DEFAULT_SHAPE_B = 5 DEFAULT_SHAPE_C = 4 def set_dimension (canvas, arrow_name, text_name, x1, y1, x2, y2, tx, ty, dim): points = goocanvas.Points([(x1, y1), (x2, y2)]) item = canvas.get...
GNOME/pygoocanvas
demo/simple_demo/arrowhead_demo.py
Python
lgpl-2.1
10,540
[ "FLEUR" ]
e562335206283defbb48659cbf11fa06248d15f99a28060f4e3bb2300b1b3533
""" # ============================================================================== Plots data vs model response computed by an Inversion Method # ============================================================================== """ import matplotlib.gridspec as gridspec import matplotlib.pyplot as plt import numpy as n...
MTgeophysics/mtpy
legacy/plot_response.py
Python
gpl-3.0
114,878
[ "VTK" ]
e4e26504fb5b3c69bf2d6c76fc86102d10ab5e4ff80696edf8ba92d7d702324f
from __future__ import division import warnings import os, sys import numpy as np import scipy.spatial import scipy.weave import scipy.stats.kde import matplotlib.pyplot as pp import bisect # apparently scipy.weave is depricated. I really shouldn't have used it. # the best thing would probably be to port entropy_nn()...
rampasek/seizure-prediction
features/entropy.py
Python
gpl-2.0
10,855
[ "Gaussian" ]
86e9a9f8405d4c86ba975e7ceeb20b149f43057af067150b30097cebbffabb66
# -*- coding: utf-8 -*- """ @author: nicholas """ import sys import logging import shutil import os import unittest import time from unittest.mock import Mock from riboSeed.shared_methods import md5 from riboSeed.riboScore import getSnagCmd, getSelectCmd, getScanCmd, \ parseDirContents, make_nuc_nuc_recip_blas...
nickp60/riboSeed
tests/test_riboScore.py
Python
mit
7,679
[ "BLAST" ]
f680bc9f556fe4df9e8c0726b9153447d327b3ab06390806c3adf074bd814f62
# Authors: Alexandre Gramfort <alexandre.gramfort@inria.fr> # Matti Hämäläinen <msh@nmr.mgh.harvard.edu> # Martin Luessi <mluessi@nmr.mgh.harvard.edu> # Denis Engemann <denis.engemann@gmail.com> # Andrew Dykstra <andrew.r.dykstra@gmail.com> # Teon Brooks <teon.brooks@gmail.c...
bloyl/mne-python
mne/channels/channels.py
Python
bsd-3-clause
75,094
[ "Mayavi" ]
57201032fc8ad8c42ed0e5ccbad623ae42e8df19ab15b6c364d4eab27917d367
import unittest import numpy as np import pysal from pysal.spreg.twosls import TSLS, BaseTSLS from scipy import sparse as SP from pysal.common import RTOL class TestBaseTSLS(unittest.TestCase): def setUp(self): db = pysal.open(pysal.examples.get_path("columbus.dbf"),'r') self.y = np.array(db.by_col...
ljwolf/pysal
pysal/spreg/tests/test_twosls_sparse.py
Python
bsd-3-clause
14,413
[ "COLUMBUS" ]
927b164819dcb4fac349ae474fcbac16c05f96cf4736e4e939979de99a3a042b
""" Perform Levenberg-Marquardt least-squares minimization, based on MINPACK-1. AUTHORS The original version of this software, called LMFIT, was written in FORTRAN as part of the MINPACK-1 package by XXX. Craig Markwardt converted the FORTRAN code to IDL. The information for ...
shfengcj/pydm
pydm/mpfit/mpfit.py
Python
gpl-2.0
93,480
[ "Gaussian" ]
c9e8e00197e35a0f1be5bf0b931f36c8b15fb4e41561fc0c37257dedfdc6154b
# encoding: utf-8 """ A base class for a configurable application. Authors: * Brian Granger * Min RK """ from __future__ import print_function #----------------------------------------------------------------------------- # Copyright (C) 2008-2011 The IPython Development Team # # Distributed under the terms of th...
WillisXChen/django-oscar
oscar/lib/python2.7/site-packages/IPython/config/application.py
Python
bsd-3-clause
21,855
[ "Brian" ]
238213c07fbc5dd169c7bda8331dfa07389b9f908bbe3f0b1850ff69252b3beb
#The DF of a tidal stream import copy import numpy import multiprocessing import scipy from scipy import special, interpolate, integrate if int(scipy.__version__.split('.')[1]) < 10: #pragma: no cover from scipy.maxentropy import logsumexp else: from scipy.misc import logsumexp from galpy.orbit import Orbit fro...
followthesheep/galpy
galpy/df_src/streamdf.py
Python
bsd-3-clause
117,381
[ "Gaussian" ]
b420806e285f6c3cd071744aecf57f020d46e4cfb4703fb37ccc48867799f233
""" TokenAgent This agent inspect all elements, and resets their tokens if necessary. The following options can be set for the TokenAgent. .. literalinclude:: ../ConfigTemplate.cfg :start-after: ##BEGIN TokenAgent :end-before: ##END :dedent: 2 :caption: TokenAgent options """ from __future__ import absolut...
yujikato/DIRAC
src/DIRAC/ResourceStatusSystem/Agent/TokenAgent.py
Python
gpl-3.0
6,701
[ "DIRAC" ]
5cc6fbd3f405a349f9e226a2c7cfaa625a7527d58de0e8830efdd0c7c68a1688
#process all record #for each record find template for spike in each channel #then compute signal to noise ratio (snr) for each cluster import pickle import signal_processing as sig_proc import numpy as np import copy import matplotlib.pyplot as plt dir_name = '../data/r415/' img_ext = '.eps' save_img = True show = F...
scauglog/brain_record_toolbox
script_r415_snr_evo_with_new_pattern.py
Python
mit
4,035
[ "NEURON" ]
4698af917abf929b963d64981f1a620b92a7d6618409f6df2deabb72391751fa
#pylint: disable=missing-docstring #* 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/...
nuclear-wizard/moose
python/chigger/misc/AxisSource.py
Python
lgpl-2.1
1,445
[ "MOOSE", "VTK" ]
9ed3d59fd3814c132ef500fbdee5c0dd805eca4a9992d7ed59762c040593d7a4
# physcon Physical constants # Note: type physcon.help() (after import physcon) from math import pi # define light velocity, because we need it in calculations cloc =299792458. # dictionary of physical constants in SI units. Values CODATA 2010 http://www.physics.nist.gov/cuu/Constants/ # each item: [description (str...
trigfa/notebooks
physcon.py
Python
mit
7,418
[ "Avogadro", "DIRAC" ]
e0396dac9ba317a20d8608ac492e17aa82406def8f2670a6a3d98e53846ac7d4
r""" File I/O (:mod:`skbio.io`) ========================== .. currentmodule:: skbio.io This package provides I/O functionality for skbio. Supported file formats ---------------------- For details on what objects are supported by each format, see the associated documentation. .. currentmodule:: skbio.io.format .. au...
gregcaporaso/scikit-bio
skbio/io/__init__.py
Python
bsd-3-clause
8,073
[ "scikit-bio" ]
e42662bf8d04fab7bc1471a2247dc7afa0c88d5573b90ae349b4c64e82a68470
## Automatically adapted for numpy.oldnumeric Jun 27, 2008 by -c # $Id$ # # Copyright (C) 2000-2008 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, foun...
rdkit/rdkit-orig
rdkit/Chem/__init__.py
Python
bsd-3-clause
3,165
[ "RDKit" ]
cff4fa9d286b1ccec015d9fc4c3825c37358caceaed3b0aa29a07f8092a9a626
""" SiteStatus helper Module that acts as a helper for knowing the status of a site. It takes care of switching between the CS and the RSS. The status is kept in the RSSCache object, which is a small wrapper on top of DictCache """ from __future__ import absolute_import from __future__ import division from __future__...
yujikato/DIRAC
src/DIRAC/ResourceStatusSystem/Client/SiteStatus.py
Python
gpl-3.0
10,057
[ "DIRAC" ]
2151be4728a1523d0bd19a7af800c6e2d00596071441ac8ac1577d14c586b701
#!/usr/bin/env python # -*- coding: utf-8 -*- import sys reload(sys) sys.setdefaultencoding('utf-8') import os, csv COV = None if os.environ.get('FLASK_COVERAGE'): import coverage COV = coverage.coverage(branch=True, include='app/*') COV.start() if os.path.exists('.env'): print('Importing environment ...
Spandex-at-Exeter/demography_database
manage.py
Python
mit
43,949
[ "Amber" ]
bec16371db65d2b4a3880d360d4117d0997987c743cda5b69ca320b408d01805
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- http://www.mdanalysis.org # Copyright (c) 2006-2016 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under th...
alejob/mdanalysis
package/MDAnalysis/analysis/encore/clustering/__init__.py
Python
gpl-2.0
1,294
[ "MDAnalysis" ]
1d40f140821af6774d09d500f59e664032048fb49643e3600dbb2bbdb37da0b4
# -*- coding: utf-8 -*- # # # TheVirtualBrain-Scientific Package. This package holds all simulators, and # analysers necessary to run brain-simulations. You can use it stand alone or # in conjunction with TheVirtualBrain-Framework Package. See content of the # documentation-folder for more details. See also http://www...
stuart-knock/tvb-library
tvb/simulator/models/jansen_rit.py
Python
gpl-2.0
25,472
[ "NEURON" ]
f5fd48ea59de2efedd3557e42082c64aded95bb1026fa1b4e3c95a2592978c9f
#-*- coding: utf-8 -*- ''' Created on 25 mars. 2014 Toolbox for downloading era_interim Parameters depending to the code EMCWF a shapefile or an extend for the area, the period needed and an optional outputFile for downloaded raster @author: yoann Moreau @author: benjamin tardy ''' import sys import getopt impor...
yoannMoreau/gfsDownload
python/eraInterimDownload.py
Python
cc0-1.0
8,200
[ "NetCDF" ]
4ebc38cbade34b1d1fbaadb618f4ac16cbf4854b3270592b161a824c084fa13c
from typing import Sequence, Union, Any from collections import OrderedDict from numpy import Inf, exp import pandas as pd from hbayesdm.base import TaskModel from hbayesdm.preprocess_funcs import prl_preprocess_func __all__ = ['prl_rp'] class PrlRp(TaskModel): def __init__(self, **kwargs): super().__i...
CCS-Lab/hBayesDM
Python/hbayesdm/models/_prl_rp.py
Python
gpl-3.0
9,952
[ "NEURON" ]
2e0382bc1b93a3fc2d0a8dac50a98276e4d2dfc4a915688e44f7d49774161f7f
import os import re import sys import six import json import shutil from nose.tools import raises from rabix.tests import mock_app_bad_repo, mock_app_good_repo, \ result_parallel_workflow, result_nested_workflow from rabix.main import main from rabix.docker import docker_client, get_image __test__ = False @rai...
lowks/rabix
rabix/tests/integration_test.py
Python
agpl-3.0
5,350
[ "BWA" ]
1e8605f04247b7c5980b671562179d8ed42f7602f937bc53c174faf2fc282a5f
""" DIRAC.DataManagementSystem.Client test package """ from __future__ import absolute_import from __future__ import division from __future__ import print_function
yujikato/DIRAC
src/DIRAC/DataManagementSystem/Client/test/__init__.py
Python
gpl-3.0
167
[ "DIRAC" ]
63585c9c2453881141f3fe3fae1b04931c057b01960633876057e93601fb18bb
# The MIT License # # Copyright (c) 2008 James Piechota # # 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...
redpawfx/massiveImporter
python/ns/evolve/Mutate.py
Python
mit
15,629
[ "Gaussian" ]
42692675d67243dd4aa25dc6de4f77c802d083222288d4f11403ca9685a7a0ba
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/gto/ft_ao.py
Python
apache-2.0
7,194
[ "PySCF" ]
e10789114becaa5311c01e49ae3019a16183b78a37e53ef0271cb2ead20981f4
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """ This module provides utility classes for string operations. """ import re from fractions import Fraction def str_delimited(results, header=None, delimiter="\t"): """ Given a tuple of tuples, genera...
fraricci/pymatgen
pymatgen/util/string.py
Python
mit
11,931
[ "pymatgen" ]
a39e56a4a14787fc819cdbb1baf2679606f5b15674fc1e7bd2ae29a251fa7025
""" Unit tests for HDF5 parsing; runs tests in multiple libraries """ __author__ = 'Dallas R. Trinkle' import unittest import numpy as np import h5py import onsager.crystal as crystal import onsager.PowerExpansion as PE import onsager.GFcalc as GFcalc import onsager.crystalStars as stars import onsager.OnsagerCalc as...
DallasTrinkle/Onsager
test/test_HDF5.py
Python
mit
11,073
[ "CRYSTAL", "VTK" ]
3546b466d8480f7ad2fedb4368651d09e3fc16442f73ce972370b5ddcdac45bb
# -*- coding: utf-8 -*- """A plugin to generate a list of domains visited.""" from urllib import parse as urlparse from plaso.analysis import interface from plaso.analysis import manager class UniqueDomainsVisitedPlugin(interface.AnalysisPlugin): """A plugin to generate a list all domains visited. This plugin ...
kiddinn/plaso
plaso/analysis/unique_domains_visited.py
Python
apache-2.0
1,934
[ "VisIt" ]
8877eb7e3738139e2d7eb943c21e7b010bb49b5eed2866a871474cc1d8686745
# -*- coding: utf-8 -*- import fauxfactory import pytest import cfme.configure.access_control as ac from cfme import test_requirements from cfme.configure.access_control import Tenant from cfme.fixtures import pytest_selenium as sel from cfme.automate import explorer as automate from cfme.provisioning import provision...
kzvyahin/cfme_tests
cfme/tests/infrastructure/test_infra_quota.py
Python
gpl-2.0
9,036
[ "VisIt" ]
958ff4452040f4e30e42ce0ef447db32822e44f462166e59e771eff3bae2adf6
#!/usr/bin/env python # -*- coding: utf-8 -*- from __future__ import division, print_function import numpy as np import warnings try: import horton except: warnings.warn("Running without support for horton", RuntimeWarning) import h5py from .utilities import load_qmfiles, number2name, name2number, angstrom2bo...
peter-reinholdt/propertyfit
propertyfit/structures.py
Python
gpl-3.0
16,394
[ "TeraChem" ]
2ef82abf60e59a8ac5627cc5a4dac9f0b8bd418938f3f9e020cc42d69517d1cf
#!/usr/bin/env python # # Author: Qiming Sun <osirpt.sun@gmail.com> # r''' Applying creation or annihilation operators on FCI wavefunction a |0> Compute density matrices by gamma_{ij} = <0| i^+ j |0> Gamma_{ij,kl} = <0| i^+ j^+ l k |0> ''' import numpy from pyscf import gto, scf, fci mol = ...
gkc1000/pyscf
examples/fci/31-apply_2nd_quantized_op.py
Python
apache-2.0
2,959
[ "PySCF" ]
879600639ce2e08ef0778d0797d27f86acfca088e973e895831c8a981327e2e3