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# -*- coding: utf-8 -*- # # This file is a plugin for EventGhost. # Copyright © 2005-2016 EventGhost Project <http://www.eventghost.net/> # # EventGhost 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 v...
WoLpH/EventGhost
plugins/X10/__init__.py
Python
gpl-2.0
10,254
[ "Firefly" ]
b0c2f2256a202b20580e3519b379eb1a20af0a2cfaa5fb879b008e9427fda754
""" DICEseq - Dynamic Isoform spliCing Estimator via sequencing data See: http://diceseq.sourceforge.net """ import sys if sys.version_info >= (3,): sys.exit('diceseq requires Python 2') # Always prefer setuptools over distutils from setuptools import setup, find_packages, Extension # To use a consistent encoding...
huangyh09/diceseq
setup.py
Python
apache-2.0
2,532
[ "Gaussian", "pysam" ]
f361cf1742436ea899c1751d717e1b3907812196b19702544dc16c250e0b757a
sobrenomes_list = [ "Aaron" , "Ab" , "Abba" , "Abbe" , "Abbey" , "Abbie" , "Abbot" , "Abbott" , "Abby" , "Abdel" , "Abdul" , "Abe" , "Abel" , "Abelard" , "Abeu" , "Abey" , "Abie" , "Abner" , "Abraham" , "Abrahan" , "Abram" , "Abramo" , "Abran" , "Ad" , "Adair" , "Adam" , "Adamo" , "Adams" , "Adan" , "Addie" , "Addison"...
Pharaoh00/Pharaoh-Toolkit
0.0.6/modulos/listas/nomesLista_Second.py
Python
mit
42,218
[ "ASE", "Brian", "Dalton", "Desmond", "MOE" ]
e31567479d44c0cbd98af852514b6867cf2b376ca1588e0edcc7e7b8ed3ef41c
# (c) 2012-2014, Michael DeHaan <michael.dehaan@gmail.com> # # This file is part of Ansible # # Ansible 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) an...
muravjov/ansible
lib/ansible/utils/__init__.py
Python
gpl-3.0
60,718
[ "Galaxy", "VisIt" ]
0fda91c0b108d5d738e039c566a23526f385a30a348fad15c447d273bb054a97
# -*- coding: utf-8 -*- # # Copyright 2008 - 2019 Brian R. D'Urso # # This file is part of Python Instrument Control System, also known as Pythics. # # Pythics 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, e...
dursobr/Pythics
pythics/help/help.py
Python
gpl-3.0
80,574
[ "Brian" ]
d6e7aaa0e6fb090ac1b06696d65888105c3e3fd8dadf070004e425f4ea4fb009
############################################################################### ## ## Copyright (C) 2014-2016, New York University. ## Copyright (C) 2011-2014, NYU-Poly. ## Copyright (C) 2006-2011, University of Utah. ## All rights reserved. ## Contact: contact@vistrails.org ## ## This file is part of VisTrails. ## ## ...
VisTrails/VisTrails
vistrails/packages/spreadsheet/spreadsheet_tabcontroller.py
Python
bsd-3-clause
33,837
[ "VTK" ]
57288f156ed4a6475c1f44cbc8c5b7ecb6893627f1c688324ba6786cad8f9381
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
SKIRT/PTS
dustpedia/core/sample.py
Python
agpl-3.0
8,168
[ "Galaxy" ]
28ef6388f2b5fdac10d59feffa273fb85659747db67e4330763e61b5da7fc66b
#!/usr/bin/python import math import argparse from string import maketrans #Script used in order to obtain primers. parser = argparse.ArgumentParser() parser.add_argument('-file', action="store", dest = 'File', required = "True") parser.add_argument('-fasta', action = "store", dest = "genome", required = "True") parse...
sergioSEa/Developed_scripts
primer-generation.py
Python
gpl-3.0
16,460
[ "Biopython" ]
eeee12407169eff47a30b8de41e1ce6450ef1a5e0b8d62f29bf62fbf609bfe5e
# Code from Chapter 6 of Machine Learning: An Algorithmic Perspective (2nd Edition) # by Stephen Marsland (http://stephenmonika.net) # You are free to use, change, or redistribute the code in any way you wish for # non-commercial purposes, but please maintain the name of the original author. # This code comes with no...
Anderson-Lab/anderson-lab.github.io
csc_466_2021_spring/MLCode/Ch6/ecoli.py
Python
mit
1,737
[ "Gaussian" ]
cc3f85b90c7e95fcc95c414ecd93fd965d752010ca22f629a045942e89418ced
# # This file is part of the CCP1 Graphical User Interface (ccp1gui) # # (C) 2002-2005 CCLRC Daresbury Laboratory # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 ...
alexei-matveev/ccp1gui
interfaces/daltonio.py
Python
gpl-2.0
15,263
[ "Dalton" ]
d3cc06095776816ef41f78fb252c2f039f07793e55a9e175b9f5479aa39c7649
# -*- coding: utf-8 -*- from zope.interface import Interface, implements from twisted.application import service from twisted.internet import defer class IBasicDispatcherService(Interface): def my_func(self, value): """Return a deferred returning a string""" class BasicDispatcherService(service.Service...
christoforov/edusensors
edusensors/dispatchers/service/BasicDispatcherService.py
Python
mit
1,202
[ "MOE" ]
f13eaf479c170ac96562e723f76e3277018a4d976dc1df71347db05fef67071d
# ---------------------------------------------------------------------------- # 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. # --------------------------------------------...
anderspitman/scikit-bio
skbio/io/format/tests/test_clustal.py
Python
bsd-3-clause
12,297
[ "scikit-bio" ]
bea78cc1297d078d49a748e15258ca1653ada84ef0f254e777558564dbfa536f
#!/usr/bin/env python # -*- coding: utf-8 -*- """Useful tool for image reduction.""" import os import copy import numpy as np from scipy import ndimage from scipy.ndimage.filters import gaussian_filter from astropy.io import fits from astropy.nddata import Cutout2D from astropy.stats import SigmaClip from astropy.t...
dr-guangtou/KungPao
kungpao/imtools.py
Python
gpl-3.0
28,670
[ "Gaussian" ]
c1e6102ad7c844adc9e47bdad41c3a15f3a1454ec72c115526fe3aa2349c8977
# Copyright (c) 2012 Spotify AB # # 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, s...
ivannotes/luigi
setup.py
Python
apache-2.0
3,092
[ "VisIt" ]
325856004fdd1a64c106de83027d11a0351d449d94ad38f4fe7b33f500bf17a9
# ################################################################ # # Active Particles on Curved Spaces (APCS) # # Author: Silke Henkes # # ICSMB, Department of Physics # University of Aberdeen # Author: Rastko Sknepnek # # Division of Physics # School of Engineering, Physics and Mathem...
sknepneklab/SAMoS
analysis/batch_nematic/batch_analyze_nematic_phi0.75b.py
Python
gpl-3.0
2,491
[ "VTK" ]
073c833d7532a5f4dd0242a2b5f859f305f4e163c98523079e86122e1325ac8b
#!/usr/bin/env python from __future__ import division, absolute_import, print_function import os import sys import argparse import redmapper if __name__ == '__main__': parser = argparse.ArgumentParser(description='Calibrate the redMaGiC red galaxy selection') parser.add_argument('-c', '--configfile', action...
erykoff/redmapper
bin/redmagic_run.py
Python
apache-2.0
828
[ "Galaxy" ]
f91da979b9e739ac8cb487403dd67f10117fe015df5a077cc7feaf90d913fc89
#! /usr/bin/env python3 # -*- coding: utf-8 -*- import os,sys,traceback import re,shutil from pyramid.view import view_config, view_defaults from pyramid.response import FileResponse import logging from pprint import pformat import textwrap import datetime import humanize from pygments import highlight from pygment...
ofilangi/askomics
askomics/ask_view.py
Python
agpl-3.0
72,805
[ "Galaxy" ]
a33d324d5c14dd47df67d3ad7cd4f18930d68654cc1cd43b3a1f9b3e338c6c0f
#! /usr/bin/env python from __future__ import division, print_function import pandas as pd import sys import os import dill import numpy as np file_path = os.path.dirname(os.path.realpath(__file__)) lib_path = os.path.abspath(os.path.join(file_path, './')) sys.path.append(lib_path) import candle additional_defini...
ECP-CANDLE/Benchmarks
common/calibration_main.py
Python
mit
8,705
[ "Gaussian" ]
77bc66b7d1829f57fcdb24092899def872ae53e6109f1a6c382b8280a621805c
#!/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...
pli3/e2-openwbif
plugin/controllers/views/web/settings.py
Python
gpl-2.0
5,371
[ "VisIt" ]
d3c786ff6fbf6b3b97e3e439a00086fc2af12cdaa09c21e55df4a70ea19dcdd2
from ase.units import Bohr, AUT, _me, _amu from gpaw import * from gpaw.tddft import * from gpaw.tddft.units import attosec_to_autime from gpaw.mpi import world ############################################################################### # EHRENFEST DYNAMICS WITHIN THE PAW METHOD # WORKS WITH PAW AS LONG THERE ISN'...
ajylee/gpaw-rtxs
gpaw/tddft/ehrenfest.py
Python
gpl-3.0
7,612
[ "ASE", "GPAW" ]
72f554315da3807201e4cd5e86cb8eb77cd2b3678586668b68b183650f17203d
import matplotlib import matplotlib.pyplot as plt from matplotlib.transforms import IdentityTransform,Affine2D from matplotlib import pylab from shapely import geometry from shapely.ops import cascaded_union import rdkit from rdkit import Chem import fileinput import sys class Draw(object): def __init__(self,topolo...
ldomic/lintools
lintools/draw.py
Python
gpl-3.0
12,545
[ "RDKit" ]
55e92767094f58cdb88e71638076ad1ff1dff6494af239005a7288c76c883864
""" Courseware views functions """ import logging import urllib import json from collections import defaultdict from django.utils.translation import ugettext as _ from django.conf import settings from django.core.context_processors import csrf from django.core.exceptions import PermissionDenied from django.core.urlr...
carsongee/edx-platform
lms/djangoapps/courseware/views.py
Python
agpl-3.0
37,259
[ "VisIt" ]
64be7b909230cfb0331e325e2a3f285b5859203cd8b9303a05fd62543c03e406
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Single_Contact_Classification/Spatial_Resolution/space_resolution_per_meter_percent_1200ms.py
Python
mit
3,503
[ "Mayavi" ]
e73a2ee1222dda6f2869cc50450969e01b573ce4b8d76cca1699fc69557102ca
# (C) British Crown Copyright 2010 - 2015, Met Office # # This file is part of Iris. # # Iris 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 l...
mo-g/iris
lib/iris/io/__init__.py
Python
gpl-3.0
14,069
[ "NetCDF" ]
249903c5d59247c34e08b415d3934a301c53375f305bbad300cacd0e22e20f50
""" @file bible/seed.py @author Brian Kim @brief initialize the database with the good stuff """ from model import * import requests def mk_en_lang(): return Language(u'en',u'English') def mk_niv(): en = mk_en_lang() return Version(en,u'NIV',u'New International Version') def mk_rsv(): en = mk_en_la...
briansan/bible
bible/seed.py
Python
bsd-2-clause
2,115
[ "Brian" ]
1a20be1b24a2b04ba3d52a7268d86a391a54fee3ab9168437cea6d710e3ef5a5
import collections import numpy as np def gaussian_grad(im_input, sigma): """Performs smoothing with derivative gaussian kernel. Uses seperable convolution to simultaneously smooth and calculate the gradient of a grayscale image. Parameters ---------- im_input : array_like An intens...
DigitalSlideArchive/HistomicsTK
histomicstk/filters/edge/gaussian_grad.py
Python
apache-2.0
1,900
[ "Gaussian" ]
cdb147eedeba5e63fd1bf6bfb4366e60e71b55d91f0b40c3cbb893eacc7166d6
#!/usr/bin/python """ Copyright 2010 Paul Willworth <ioscode@gmail.com> This file is part of Galaxy Harvester. Galaxy Harvester is free software: you can redistribute it and/or modify it under the terms of the GNU Affero General Public License as published by the Free Software Foundation, either version 3 of th...
druss316/G-Harvestor
html/getCurrentUserNames.py
Python
gpl-3.0
1,648
[ "Galaxy" ]
607817dc8f85f195551018580dc2bd06b2a627a1ea310a3b70fd7f05f8eee5bd
import math import sys import random import numpy as np class Estimation: """Estimate realMatition probabilities from observation, Generate new observation according to the estimator """ def __init__(self): """Class Initialization""" self.nrows = 2 self.ncols = 2 sel...
arongdari/digbeta
tour/src/estimate.py
Python
gpl-3.0
2,653
[ "Gaussian" ]
1e3dd1fae6eea8414ba7a0ad8f1ce00d14dd87e033e4a9f8fc4656c65d8e2064
import md5 import os from twisted.python import util from twisted.trial.test import packages from twisted.trial import runner, reporter, unittest from twisted.python.modules import getModule # XXX - this is used in test_script, perhaps it should be in a utility module def testNames(test): """ Return the i...
santisiri/popego
envs/ALPHA-POPEGO/lib/python2.5/site-packages/twisted/trial/test/test_loader.py
Python
bsd-3-clause
19,124
[ "VisIt" ]
10eb5fd2a0f7d89a5d7fa219b0f19350890a05028a2a6d64d932c7c46406f148
# -*- coding: utf-8 -*- import os import shutil from lettuce import step, world from django.conf import settings from lettuce.django import django_url from should_dsl import should from model_mommy import mommy from apps.members.models import Member from apps.members.models import Participation from apps.projects.model...
nsi-iff/nsi_site
apps/members/features/steps.py
Python
mit
3,842
[ "VisIt" ]
e681cfd55887b0c1bf25f5880c5f2b0886f0c94aff78a1379d88acd2d12f3fe4
# -*- coding: utf-8 -*- # rdesignerProtos.py --- # # Filename: rdesignerProtos.py # Description: # Author: Subhasis Ray, Upi Bhalla # Maintainer: # Created: Tue May 7 12:11:22 2013 (+0530) # Version: # Last-Updated: Wed Dec 30 13:01:00 2015 (+0530) # By: Upi # URL: # Keywords: # Compatibility: # # # Comment...
BhallaLab/moose
moose-core/python/rdesigneur/rdesigneurProtos.py
Python
gpl-3.0
32,040
[ "MOOSE", "NEURON" ]
fb4276a25fecc43704263d0c053775dea467d746c2c0fd83ebad21896350ab72
# This file is part of fedmsg. # Copyright (C) 2012 Red Hat, Inc. # # fedmsg 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. #...
opoplawski/fedmsg_meta_fedora_infrastructure
fedmsg_meta_fedora_infrastructure/tests/anitya.py
Python
lgpl-2.1
31,211
[ "ADF" ]
b1840110e4962e1de468f76ffd150c728b77ca295222fc3cd8d913f3f7e1a06d
"""Routes configuration The more specific and detailed routes should be defined first so they may take precedent over the more generic routes. For more information refer to the routes manual at http://routes.groovie.org/docs/ """ import types import os import re from pylons import config from routes import Mapper def...
DIRACGrid/DIRACWeb
dirac/config/routing.py
Python
gpl-3.0
2,840
[ "DIRAC" ]
bb4bfcae0a396e72f20cf512cdf1204093ae7c1e2c7e8703a2715e49af8b3949
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import json import os import unittest import numpy as np import pandas as pd from pymatgen.io.lammps.outputs import LammpsDump, parse_lammps_dumps, parse_lammps_log from pymatgen.util.testing import PymatgenTest test_dir = o...
vorwerkc/pymatgen
pymatgen/io/lammps/tests/test_outputs.py
Python
mit
6,712
[ "LAMMPS", "pymatgen" ]
257060793f167bf0659f86174b0940f28dbf4826d165e90770c5d3c9d16a923e
#!/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/pbc/scf/hf.py
Python
apache-2.0
29,364
[ "CRYSTAL", "PySCF" ]
531620f1cfce8ea10570c7ae507d58361e0fa8270f2b49ecb67a225428f0b6dc
import os import discord from .utils import checks from discord.ext import commands from cogs.utils.dataIO import dataIO try: import spotipy from spotipy.oauth2 import SpotifyClientCredentials except: spotipy = None class Spotify: def __init__(self, bot): self.bot = bot self.settings ...
atiwiex/Ati-Cogs
spotify/spotify.py
Python
gpl-3.0
3,554
[ "VisIt" ]
e4aac19839958168cfe59ec85fe56317b13baddc21315ffdfe1754fe911db68e
"""Single-trials covariance-based Granger Causality for gaussian variables. -------------------- Total Granger interdependence ---------------------- Total Granger interdependence: TGI = GC(x,y) TGI = sum(GC,2): TGI = GC(x->y) + GC(y->x) + GC(x.y) TGI = GC(x->y) + GC(y->x) + GC(x.y) = Hycy + Hxcx - Hxxcyy This quantit...
EtienneCmb/brainpipe
brainpipe/connectivity/stgc.py
Python
gpl-3.0
6,960
[ "Gaussian" ]
18f1ee649df2cb6e6737fe3ba6e8ac7d8e9a69419c2b55be188ba7155531bdc8
#!/usr/bin/env python """ LAMMPS Replica Exchange Molecular Dynamics (REMD) trajectories are arranged by replica, i.e., each trajectory is a continuous replica that records all the ups and downs in temperature. However, often the requirement is trajectories that are continuous in temperature, which is achieved by this...
jeremiahyan/lammps
tools/replica/reorder_remd_traj.py
Python
gpl-2.0
20,166
[ "LAMMPS" ]
af5d3b5760186f521888611c42ade1711f2025734bd848c0e719e89c413c719e
# Gramps - a GTK+/GNOME based genealogy program # # Copyright (C) 2003-2006 Donald N. Allingham # Copyright (C) 2008,2012 Brian G. Matherly # Copyright (C) 2010 Jakim Friant # Copyright (C) 2012 Paul Franklin # # This program is free software; you can redistribute it and/or modify # it under the terms of ...
dermoth/gramps
gramps/plugins/textreport/custombooktext.py
Python
gpl-2.0
6,713
[ "Brian" ]
cd249ac85cd564b67f24f3e13ec2411941b5526bebdf9c19a748abf8f1d8679b
# # Copyright (c) 2009-2015, Jack Poulson # All rights reserved. # # This file is part of Elemental and is under the BSD 2-Clause License, # which can be found in the LICENSE file in the root directory, or at # http://opensource.org/licenses/BSD-2-Clause # import El m = 2000 n = 4000 k = 3000 testMehrotra = Tru...
mcopik/Elemental
examples/interface/QPAffine.py
Python
bsd-3-clause
4,828
[ "Gaussian" ]
403780fd957a823469703b53edf34f34897fec6b1408edc114d2d3a10db40434
#!/usr/bin/env python """ Example script using OnsagerCalc to compute the elasto-diffusion tensor for an interstitial. It also shows how to both construct an input YAML file for an FCC, BCC, or HCP crystal with octahedral / tetrahedral network, and read from that same YAML file as input. It's actually *extremely genera...
DallasTrinkle/Onsager
bin/OctaTetra-interstitial.py
Python
mit
8,833
[ "CRYSTAL" ]
ac3663f210f8aecaf355f5ae6e23b00213ba295dc2aa37e3fa491ac0780102b8
from ase import Atoms from ase.optimize import QuasiNewton from gpaw import GPAW a = 6 b = a / 2 mol = Atoms('H2O', [(b, 0.7633 + b, -0.4876 + b), (b, -0.7633 + b, -0.4876 + b), (b, b, 0.1219 + b)], cell=[a, a, a]) calc = GPAW(nbands=4, h=0.2, ...
qsnake/gpaw
doc/documentation/lcao/lcao_h2o.py
Python
gpl-3.0
455
[ "ASE", "GPAW" ]
1c41d55fcc7016fee05c62920ca1df363c426979a3be03199b0e6868fa689c63
# -*- coding: utf-8 -*- """ sphinx.writers.texinfo ~~~~~~~~~~~~~~~~~~~~~~ Custom docutils writer for Texinfo. :copyright: Copyright 2007-2013 by the Sphinx team, see AUTHORS. :license: BSD, see LICENSE for details. """ import re import string import textwrap from os import path from docutils imp...
nirmeshk/oh-mainline
vendor/packages/sphinx/sphinx/writers/texinfo.py
Python
agpl-3.0
45,335
[ "VisIt" ]
2142f76d785970ad7010c1b476103ea36f7f4a016d1d107e77cbb8160dd5ef2f
""" Edits the Gromacs .mdp file. A Gromacs .mdp file contains various informations about the simulation setup ranging from the Molecular Dynamics timestep to the thermostat parameters, output management and so on. A Dimer simulation in Gromacs requires some of these settings to be set in a particular way. This pack...
marckn/dimerizer
dimerizer/mdp/__init__.py
Python
gpl-3.0
1,952
[ "Gromacs" ]
eab26fefdf9f38a30a649de67c1c24722aa37c2c0b387e0be07a938b05c11a3a
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
sandbox_tapo/src/skin_related/BMED_8813_HAP/Scaling/results/cross_validate_objects_BMED_8813_HAP_scaled_method_I.py
Python
mit
3,959
[ "Mayavi" ]
495cba3f4fca068d8e912b1783a441fa97ea1a67f8eaa317a83f98f773089c2e
#Using Scrapy with Selenium to scape a rendered page [Updated] from scrapy.contrib.spiders.init import InitSpider from scrapy.http import Request, FormRequest from scrapy.contrib.linkextractors.sgml import SgmlLinkExtractor from scrapy.contrib.spiders import CrawlSpider, Rule from scrapy.spider import BaseSpider...
InfiniteRandomVariable/hello-world
tutorial/tutorial/spiders/guardian.py
Python
apache-2.0
3,904
[ "VisIt" ]
fb65dd6cea0bdecaa99986586affc8a5fc71c6ae7552cb91a4d3380909743864
# Copyright 2013-2021 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class PyAse(PythonPackage): """The Atomic Simulation Environment (ASE) is a set of tools and...
LLNL/spack
var/spack/repos/builtin/packages/py-ase/package.py
Python
lgpl-2.1
2,182
[ "ASE" ]
a05e963aaa0a6d7172b3a7fdcb7390221dfa66417e3eaeeec7bc86b9f59e1fdf
#!/usr/bin/env python # # ex43.py # # Author: Billy Wilson Arante # Created: 2016/05/15 PHT # Citation: http://learnpythonthehardway.org/book/ex43.html # from sys import exit from random import randint class Scene(object): def enter(self): print "This scene is not yet configured. Subclass it and " + \ ...
arantebillywilson/python-snippets
py2/lpthw/ex43.py
Python
mit
9,859
[ "BLAST" ]
ec89740df42fb6f08f3df48f59571667c55533664f0c1023d2a483fb2aeafc11
import os import tarfile from flyingpigeon.subset import clipping from flyingpigeon.subset import countries, countries_longname from flyingpigeon.log import init_process_logger from pywps.Process import WPSProcess import logging logger = logging.getLogger(__name__) class ClippingProcess(WPSProcess): def __init...
KatiRG/flyingpigeon
flyingpigeon/processes/wps_subset_countries.py
Python
apache-2.0
5,682
[ "NetCDF" ]
100ada56b7b2620c001b40f028e136e2c1da19a58b109ee4ccfa3254cf0cfd4a
# -*- coding: utf-8 -*- import datetime import json import os import shutil from django.conf import settings from django.core.files.storage import default_storage as storage from django.core.urlresolvers import reverse import mock from nose.tools import eq_, ok_ from pyquery import PyQuery as pq import mkt from mkt....
mstriemer/zamboni
mkt/submit/tests/test_views.py
Python
bsd-3-clause
38,838
[ "exciting" ]
6fe5170568b059a31a76fce46e41e81148c5f437254ae2a096b6400daf812f28
import logging from igraph import Graph from more_itertools import unique_everseen from .base_writer import BaseWriter class DRTTripletsWriter(BaseWriter): _logger = logging.getLogger(__name__) def visit(self, g): triplets = self.__get_relations_and_entities_from_graph(g) return triplets ...
fractalego/pynsett
pynsett/writer/drt_triplets_writer.py
Python
mit
1,471
[ "VisIt" ]
d8f98884d301b5d09517217a21f7d5d6a8e18ca9f4d4639ea4c456e2e9047b2d
"""Contains the parent classes for MPF's display system, including the DisplayController, MPFDisplay, DisplayElement, Transition, and Decorator. """ # display.py # Mission Pinball Framework # Written by Brian Madden & Gabe Knuth # Released under the MIT License. (See license info at the end of this file.) # Documenta...
spierepf/mpf
mpf/media_controller/core/display.py
Python
mit
30,607
[ "Brian" ]
8a631e0fb0234161a3c23f7634c28cf6d886e1d6eb773081acc8a6ef69d977ce
""" DIRAC Basic MySQL Class It provides access to the basic MySQL methods in a multithread-safe mode keeping used connections in a python Queue for further reuse. These are the coded methods: __init__( host, user, passwd, name, [maxConnsInQueue=10] ) Initializes the Queue and tries to connect to...
fstagni/DIRAC
Core/Utilities/MySQL.py
Python
gpl-3.0
52,142
[ "DIRAC" ]
cd26f588bc2cbf015f81e2279f4b40776d4a5a4e5b8549cd67a9db7b1b709b3b
# Copyright (c) 2014-2015 Brett Cannon <brett@python.org> # Copyright (c) 2014-2016 Claudiu Popa <pcmanticore@gmail.com> # Copyright (c) 2015 Pavel Roskin <proski@gnu.org> # Licensed under the GPL: https://www.gnu.org/licenses/old-licenses/gpl-2.0.html # For details: https://github.com/PyCQA/pylint/blob/master/COPYING ...
rogalski/pylint
pylint/checkers/python3.py
Python
gpl-2.0
42,745
[ "VisIt" ]
0e456b4f41a8540b066b3c8d67b79d54e2e419415921756efbb91a37e8d58902
#!/usr/bin/env python # -*- coding: utf-8 -*- # # module builder script # import os, sys, shutil, tempfile, subprocess, platform this_dir = os.path.dirname(__file__) scripts_root_dir = os.path.dirname(this_dir) scripts_common_dir = os.path.join(scripts_root_dir, "common") scripts_android_dir = os.path.join(scripts_roo...
appcelerator/titanium_mobile_tooling
scripts/module/builder.py
Python
apache-2.0
8,032
[ "VisIt" ]
c77a33ee8b8f1e2ced1a905662610457f339202e2979a6dd0b4aa0e5546f054e
from simphony.api import CUBA from .pair_style import PairStyle from .atom_type_fixes import get_per_atom_type_fixes from ..common.atom_style import (get_lammps_string, AtomStyle) class ConfigurationError(RuntimeError): pass class ScriptWriter(object): """ Writer of a LAMMPS-commands script The Scrip...
simphony/simphony-lammps-md
simlammps/config/script_writer.py
Python
bsd-2-clause
8,010
[ "LAMMPS" ]
eff4109289988d270232e83c1389b1760bb7cae097d51fe9a0090022f0cbc46a
# -*- coding: utf-8 -*- # Copyright 2007-2021 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy 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...
thomasaarholt/hyperspy
hyperspy/misc/eds/utils.py
Python
gpl-3.0
25,314
[ "Avogadro", "Gaussian" ]
9644449bf5f39892cd0ccaf81bb48243d81036ab7a12c111903c3afd0b0309a1
"""Galaxy Cluster Ensemble Calculations. Cluster mass-richness and mass-concentration scaling relations, and NFW halo profiles for weak lensing shear and magnification, including the effects of cluster miscentering offsets. This framework calculates properties and profiles for every individual cluster, storing the da...
jesford/cluster-lensing
clusterlensing/clusters.py
Python
mit
20,488
[ "Galaxy", "Gaussian" ]
34af47ada2c543aafe218f5e9b9140cd9abb5c0867fbed94d63723d9f1556f0b
""" =============================================================== Customized sampler to implement an outlier rejections estimator =============================================================== This example illustrates the use of a custom sampler to implement an outlier rejections estimator. It can be used easily wi...
fmfn/UnbalancedDataset
examples/applications/plot_outlier_rejections.py
Python
mit
4,354
[ "Gaussian" ]
0596806ed0bbb6669650f2a1a51c962609aad2cd595feac8a3530f1f0c53c5b2
"""Contains a dictionary that maps file extensions to VTK readers.""" import pathlib import os import warnings import numpy as np import pyvista from pyvista import _vtk READERS = { # Standard dataset readers: '.vtk': _vtk.vtkDataSetReader, '.pvtk': _vtk.lazy_vtkPDataSetReader, '.vti': _vtk.vtkXMLIm...
akaszynski/vtkInterface
pyvista/utilities/fileio.py
Python
mit
20,039
[ "VTK" ]
d4d1c7a669cda94fa98fe13ea858384c54b4d2b2f4a6af6bb93a7faa93d9696c
#!/usr/bin/python # Find API usage in benchmark programs import sys import os flist = [ "../sunspider_v0.9.1/3d-cube.js", "../sunspider_v0.9.1/3d-morph.js", "../sunspider_v0.9.1/3d-raytrace.js", "../sunspider_v0.9.1/access-binary-trees.js", "../sunspider_v0.9.1/access-fannkuch.js", "../sunspider_v0.9.1/access-nbody....
darkrsw/safe
benchmarks/apiusage/apiusage.py
Python
bsd-3-clause
2,428
[ "Gaussian" ]
b98ab86ea7db2d79c2c5f6b7b71955f1f0aa835bf362304425761390fe762d9d
#!/usr/bin/env python # # Creates and displays a box plot. # # # agomez (at) tacc.utexas.edu # 30 Oct 2014 # # --------------------------------------------------------------------- import numpy as np import matplotlib.pyplot as plt #gaussian distributions dataset_1 = np.random.normal(5.0, 3.0, 1000) dataset_2 = np.ran...
antoniogi/HPC
Python/TACC_HPC/3_matplotlib/boxes.py
Python
apache-2.0
529
[ "Gaussian" ]
69b93c397b3a71c9c192f569cc5147566fc8e80f3d8f2c274700dc5f6e3540ad
# Copyright: (c) 2013, James Cammarata <jcammarata@ansible.com> # Copyright: (c) 2018, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) from __future__ import (absolute_import, division, print_function) __metaclass__ = type import os.path import re import sh...
shsingh/ansible
lib/ansible/cli/galaxy.py
Python
gpl-3.0
68,922
[ "Galaxy" ]
0a8be36bcc5d3d3bb570fab634d8b8a04003425ed9a090e03ffd53cfc8fe586d
# -*- coding: utf-8 -*- ''' Created on Nov 19, 2015 Modified on Nov 19, 2015 Version 0.01.a @author: rainier.madruga@assurant.com A simple Python Program to review an Excel file and parse stats for a database ''' # Import and Load Libraries for Script import datetime import os import openpyxl import zipfile import r...
rainier-m/python-soccer
parse_SoccerStats.py
Python
gpl-2.0
6,458
[ "CRYSTAL" ]
116519721bf570f0ed1d05180a3c0759a502b8668dee6afc265c566f51287f14
#!/usr/bin/env python # encoding: utf-8 """ mygis.py Series of routines for reading / writing various GIS formats (added as I need them) Requires GDAL and netCDF4 (both the libraries and the Python bindings) if GDAL is not available it will still import, but libraries that require gdal will raise an import e...
gutmann/icar
helpers/lib/mygis.py
Python
mit
21,405
[ "NetCDF" ]
0cb167b68841235e53fa2062f959b626729eb03e5bfa287c45a76d0967766026
''' This is the application scheduler. It defines scheduled tasks and runs them as per their defined schedule. This scheduler is started and stopped when the app is started and stopped. Unless RUN_SCHEDULE is set to False in the config. In which case it must be started manually / managed by supervisor. It is presume...
JiscPER/jper
service/scheduler.py
Python
apache-2.0
16,454
[ "Octopus" ]
da7a652a505feac2fa5559f284bae44a1b893ed3eba9b287805d6b3695356655
# ---------------------------------------------------------------------------- # 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. # --------------------------------------------...
gregcaporaso/scikit-bio
skbio/io/format/tests/test_genbank.py
Python
bsd-3-clause
15,587
[ "scikit-bio" ]
dd486acaee5a4e019baccced698f5a22363f8e11701fb03c1f5f7a1e3c812ae2
"""QE calculator interface.""" # Copyright (C) 2014 Atsushi Togo # All rights reserved. # # This file is part of phonopy. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions # are met: # # * Redistributions of source code must retai...
atztogo/phonopy
phonopy/interface/qe.py
Python
bsd-3-clause
20,630
[ "CRYSTAL", "VASP", "phonopy" ]
a054bfd72883ad6def33cca60de685efffb6fdeaf7ea65506b0dc0b71244fe90
# Copyright 2007 by Tiago Antao <tiagoantao@gmail.com>. 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 FDist. See http://www.rubic....
dbmi-pitt/DIKB-Micropublication
scripts/mp-scripts/Bio/PopGen/FDist/__init__.py
Python
apache-2.0
4,332
[ "Biopython" ]
2dd112111b800ba61ec9835898fae302ee282809e98cb4a9b086d974df02636b
from __future__ import print_function import os os.environ['THEANO_FLAGS'] = "mode=FAST_COMPILE" __author__ = 'http://stackoverflow.com/questions/25967922/pybrain-time-series-prediction-using-lstm-recurrent-nets' from sys import stdout from itertools import cycle from random import random, choice, sample from time i...
w0nk0/LSTMtest1
keras_gen_from_model.py
Python
gpl-2.0
11,958
[ "NEURON" ]
db4c06c11d49189957f179cc4fa3626fe24e19c9f2f00a4bab31c80eed5aa6a7
from typing import Iterable import gempy as gp import pandas as pd import numpy as np def loop2gempy( contacts_file: str, orientations_file: str, bbox: Iterable, groups_file: str, model_base: float, model_top: float, dtm_reproj_file: str = None, faults_contact: ...
cgre-aachen/gempy
gempy/addons/map2gempy.py
Python
lgpl-3.0
7,684
[ "VTK" ]
32333f04505110f67b21a80b95da269c55c19a49743fe2c1ddc6b333f39092a7
""" DIRAC API Base Class """ __RCSID__ = '$Id$' import pprint import sys from DIRAC import gLogger, gConfig, S_OK, S_ERROR from DIRAC.Core.Security.ProxyInfo import getProxyInfo, formatProxyInfoAsString from DIRAC.ConfigurationSystem.Client.Helpers.Registry import getDNForUsername from DIRAC.Core.Utilities.Version i...
andresailer/DIRAC
Core/Base/API.py
Python
gpl-3.0
5,421
[ "DIRAC" ]
156ceddd77201be11841bfca1147ec321fd7cc1fd0696c02b0aa611fd891d93a
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=80 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # -------------------------------------------------------...
marmyshev/transitions
resources/pyinstaller/hook-openlp.plugins.presentations.presentationplugin.py
Python
gpl-2.0
2,322
[ "Brian" ]
51003daaa0ce5dd6ea3c619b22197388fc3d5b4cf986c51432751aeb116f7d53
""" visit https://morvanzhou.github.io/tutorials/ for more! Build two networks. 1. Without batch normalization 2. With batch normalization Run tests on these two networks. """ # 23 Batch Normalization import numpy as np import tensorflow as tf import matplotlib.pyplot as plt ACTIVATION = tf.nn.relu N_LAYERS = 7 N...
del680202/MachineLearning-memo
src/tensorflow/BN.py
Python
apache-2.0
6,157
[ "VisIt" ]
546a6af4d926c1847df1dffe2afd1c528bf7717da3364c08b2db08624e392673
""" Traits View definition file. The view trait of the parent class is extracted from the model definition file. This file can either be exec()ed or imported. See core/base.py:Base.trait_view() for what is currently used. Using exec() allows view changes without needing to restart Mayavi, but is slower than importi...
dmsurti/mayavi
mayavi/sources/ui/parametric_surface.py
Python
bsd-3-clause
1,083
[ "Mayavi" ]
cbeeb592686c3fef33e859268b7e3069e813fc4ecd2f814ad149180783df7b3c
#!/usr/bin/python # -*- coding: utf-8 -*- # # This file lib_nrf24.py is a slightly tweaked version of Barraca's "pynrf24". # So this is my tweak for Raspberry Pi and "Virtual GPIO" ... # ... of Barraca's port to BeagleBone python ... (Joao Paulo Barraca <jpbarraca@gmail.com>) # ... of maniacbug...
rahulpopuri/plants
scripts/lib_nrf24.py
Python
apache-2.0
25,861
[ "Brian" ]
074071b0dfc0f27c2148f0929611f26872be6525128392b444a29b246499f41d
import numpy.random as random import numpy as np from ase import Atoms from ase.calculators.neighborlist import NeighborList from ase.lattice import bulk atoms = Atoms(numbers=range(10), cell=[(0.2, 1.2, 1.4), (1.4, 0.1, 1.6), (1.3, 2.0, -0.1)]) atoms.set_scaled_po...
grhawk/ASE
tools/ase/test/neighbor.py
Python
gpl-2.0
2,397
[ "ASE" ]
75c0b2c892d0d99bddb9d0f657d64d794d3a53831823809db70ef51b8afa4524
#!/usr/bin/env python #JSON {"lot": "RHF/6-31G", #JSON "scf": "PlainSCFSolver", #JSON "linalg": "CholeskyLinalgFactory", #JSON "difficulty": 1, #JSON "description": "Basic RHF example with Cholesky matrices, includes export of Hamiltonian"} from horton import * import numpy as np # Hartree-Fock calculation # ---...
eustislab/horton
data/examples/hf_dft/rhf_h2_cholesky.py
Python
gpl-3.0
2,421
[ "Gaussian" ]
32b3502bc91b7d6d0f272990f6860d2663d4f50792a1d1161bceaed91e6c2fe5
""" ===================================== Blind source separation using FastICA ===================================== An example of estimating sources from noisy data. :ref:`ICA` is used to estimate sources given noisy measurements. Imagine 3 instruments playing simultaneously and 3 microphones recording the mixed si...
RPGOne/Skynet
scikit-learn-c604ac39ad0e5b066d964df3e8f31ba7ebda1e0e/examples/decomposition/plot_ica_blind_source_separation.py
Python
bsd-3-clause
2,228
[ "Gaussian" ]
35f67b098b33ed66df5851fa35719fcdbe08a4fa27a15675c175da41c1438888
""" ============================================================ Empirical evaluation of the impact of k-means initialization ============================================================ Evaluate the ability of k-means initializations strategies to make the algorithm convergence robust as measured by the relative stan...
cdegroc/scikit-learn
examples/cluster/plot_kmeans_stability_low_dim_dense.py
Python
bsd-3-clause
4,364
[ "Gaussian" ]
09ec6a4a2b6817d0eebccc279c01c5c38cc89cad6acbf88b61c1c05c07f6b1a6
#!/usr/bin/env python from vtk import * reader1 = vtkXMLTreeReader() reader1.SetFileName("treetest.xml") reader1.Update() view = vtkTreeMapView() view.SetAreaSizeArrayName("size") view.SetAreaColorArrayName("level") view.SetAreaLabelArrayName("name") view.SetAreaLabelVisibility(True) view.SetAreaHoverArra...
hlzz/dotfiles
graphics/VTK-7.0.0/Examples/Infovis/Python/treemap_view.py
Python
bsd-3-clause
616
[ "VTK" ]
07d17edf885922e01e3f5d98221436d510170aadfed0089458a1002d595f10dc
import ast from jaspyx.ast_util import ast_load, ast_call from jaspyx.visitor import BaseVisitor class BinOp(BaseVisitor): def visit_BinOp(self, node): attr = getattr(self, 'BinOp_%s' % node.op.__class__.__name__, None) attr(node.left, node.right) for key, value in { 'Add': '+', ...
iksteen/jaspyx
jaspyx/visitor/binop.py
Python
mit
1,001
[ "VisIt" ]
57e512c2874233badc8854d4355887b62231d99d08d025aa07464eb08c4bd30b
# -*- coding: utf-8 -*- # Copyright 2007-2011 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy 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...
sillvan/hyperspy
hyperspy/io.py
Python
gpl-3.0
16,870
[ "NetCDF" ]
3f419b2f497eb3bc7d5d6c0f84030aa25ae0ef582e449439ff540d647a059661
############################################################################## # 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/r-fgsea/package.py
Python
lgpl-2.1
2,167
[ "Bioconductor" ]
c5baa0bb75d5b02a8ca2256ddaec9858eee7832a9d84eb9e6d820f4b12627069
# # dnfhelper.py # # Copyright (C) 2010-2015 Red Hat, Inc. # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation; either version 2 of the License, or # (at your option) any later version. # # This pr...
bcl/lorax
src/pylorax/dnfhelper.py
Python
gpl-2.0
3,578
[ "Brian" ]
ac2ed1ad2fa1c6b3681198d71f7d2671f6bbc2051f1524b5b643c0b9569eabe6
#!/usr/bin/env python from pyDFTutils.ase_utils import symbol_number, symnum_to_sym import numpy as np import re import os import sys import pickle from scipy.integrate import trapz from collections import OrderedDict int_keys = ("num_bands", "num_wann", 'bands_num_points', "fermi_surface_num_points", "num...
mailhexu/pyDFTutils
pyDFTutils/wannier90/wannier.py
Python
lgpl-3.0
25,028
[ "ASE", "Wannier90" ]
f3adb316f21fc34d3912e552320db9c2aeba178f3bdf1d6bce2b770ee64e43e8
#!/usr/bin/env python #print __name__ import optparse import os usage_line = """ homology_BESThit_parsing.py Version 1.0 (28 August, 2014) License: GNU GPLv2 To report bugs or errors, please contact Daren Card (dcard@uta.edu). This script is provided as-is, with no support and no guarantee of proper or desirable fu...
darencard/ContigAnnotator
homology_BESThit_parsing.py
Python
gpl-2.0
5,698
[ "BLAST" ]
d1873a07e3d5ca573edc04573efbc98f7fb2c7b9d857d51a158f42fb60e12cee
""" Display Activation Contours =========================== Load a statistical overlay as a "topographic" contour map. """ print __doc__ import os.path as op from surfer import Brain """ Bring up the visualization. Contour maps looks best with the "low_contrast" cortex colorscheme, so we will pass that as an optio...
aestrivex/PySurfer
examples/plot_topographic_contours.py
Python
bsd-3-clause
1,851
[ "Mayavi" ]
bcc1149702e98c656f683d8953f08186b439320aa5c73b36cb40e90b066093d1
""" DIRAC FileCatalog plug-in class to manage dynamic datasets defined by a metadata query """ import hashlib import os from DIRAC import S_OK, S_ERROR, gLogger from DIRAC.Core.Utilities.List import stringListToString class DatasetManager(object): _tables = dict() _tables["FC_MetaDatasets"] = { "Fie...
DIRACGrid/DIRAC
src/DIRAC/DataManagementSystem/DB/FileCatalogComponents/DatasetManager/DatasetManager.py
Python
gpl-3.0
31,158
[ "DIRAC" ]
22aa6ac1d4f718d31f817a796069c54cb7bd24381eaaa6161c926ac74e1cc810
#!/usr/bin/env python ######################################################################## # File : dirac-platform # Author : Adria Casajus ######################################################################## """ The *dirac-platform* script determines the "platform" of a certain node. The platform is a string...
DIRACGrid/DIRAC
src/DIRAC/Core/scripts/dirac_platform.py
Python
gpl-3.0
5,709
[ "DIRAC" ]
87e4246a88b1ae4a8e47a25b6feb4ce51f9877568e923288073c155de9a5423c
# Copyright 2014 SolidBuilds.com. All rights reserved # # Authors: Ling Thio <ling.thio@gmail.com> from __future__ import print_function # Use print() instead of print from flask import url_for from StringIO import StringIO import json import random import string import pytest import shutil import os import re from...
livro-aberto/BookCloud
tests/test_page_urls.py
Python
gpl-3.0
20,254
[ "VisIt" ]
a990fbe02e254e523fb8ab22daff6e72d92f2c6ab3988d68cbea496aee33b763
from __future__ import absolute_import, division, print_function # ---------------------------------------------------------------------------- # 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 ...
Kleptobismol/scikit-bio
skbio/util/_exception.py
Python
bsd-3-clause
538
[ "scikit-bio" ]
a39464d97c29ff8ec432f1ba70fce98364ab1a2f4a9ea4f854f1b376fddb6cdb
import Sire.Config import argparse import os import sys try: numpy = Sire.try_import("numpy") except: pass from Sire.Tools import OpenMMMD from Sire.Tools import readParams parser = argparse.ArgumentParser(description="Perform molecular dynamics single topology free energy calculations " ...
chryswoods/Sire
wrapper/python/scripts/somd-freenrg.py
Python
gpl-2.0
5,014
[ "Amber", "OpenMM", "VisIt" ]
2cd708a48ae762351bcfa57c6c97935eb34cb0b8d60a5dd8e2fddca43e1d6b02
from .. import Availability, Class, Constant, Define, Method, Parameter, Type gx_class = Class('VOX', doc=""" High Performance 3D Grid. Designed for accessing 3D grids quickly using slices. It designed arround non-uniform multi-resolution compressed ...
GeosoftInc/gxapi
spec/core/VOX.py
Python
bsd-2-clause
107,579
[ "Gaussian" ]
363e26d7a1144f1cd09925058fbb23a3590029ce178517ba3ebb2df5ac46b416
#get the default AMI's and titles for the 8 EC2 datacenters through endless screen scraping #please destroy me when EC2 provides this data through JSON ;) import time, datetime, sys, re try: from splinter import Browser except: sys.exit('install splinter, ./bin/pip install splinter') EC2_USER = "" EC2_PASS = "...
munkiat/mist.io
scripts/get_ec2_amis.py
Python
agpl-3.0
2,107
[ "VisIt" ]
efba057bac01600eebdfef331163776c350c0fab2ac4a0e71487287207c86d90
import ase.db from ase.structure import molecule from ase.optimize.bfgs import BFGS from ase.calculators.nwchem import NWChem from ase.data.g2_1 import molecule_names, atom_names c = ase.db.connect('g2-1.db') for name in molecule_names + atom_names: id = c.reserve(name=name, calculator='nwchem') if id is Non...
robwarm/gpaw-symm
gpaw/test/big/g2_1/g21nwchem.py
Python
gpl-3.0
1,064
[ "ASE", "NWChem" ]
a78f8b87cb89457e0d88c2f11c339b6107abf990f88d9985a7f014b4db574580
import os import numpy as np from ase.structure import bulk from gpaw import GPAW from gpaw.response.df import DF from ase.dft import monkhorst_pack from gpaw.response.bse import BSE from gpaw.mpi import rank, size # generate kmesh kpts =(2,2,2) bzk_kc = monkhorst_pack(kpts) shift_c = [] for Nk in kpts: if Nk % 2...
ajylee/gpaw-rtxs
gpaw/test/bse_sym.py
Python
gpl-3.0
1,884
[ "ASE", "GPAW" ]
021aa3525788bc26527d13d539aa33706833024454f820c83cfe6839a13d7da7
# # Copyright 2018 Analytics Zoo Authors. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or agreed to...
intel-analytics/analytics-zoo
pyzoo/zoo/orca/automl/auto_estimator.py
Python
apache-2.0
11,592
[ "ORCA" ]
b32b049ea3856a6f2ca3b2c9729618bb1bf238d7d28e0c3c26269b07755d65f3
# Copyright 2019-present, GraphQL Foundation # All rights reserved. # # This source code is licensed under the MIT license found in the # LICENSE file in the root directory of this source tree. from casing import title from license import C_LICENSE_COMMENT class Printer(object): def __init__(self): self._fields...
graphql/libgraphqlparser
ast/cxx_json_visitor_impl.py
Python
mit
2,312
[ "VisIt" ]
72867dca86601479141de4bd9a67820db29982bb787580ae3c79761146ee7042
# coding=utf-8 import logging import traceback import gevent from gevent.hub import Waiter from gevent import Timeout import time from octopus.service.octp_client import OctpClient from octopus.service.service import Service from octopus import err from octopus import constant log = logging.getLogger(constant.LOGGER_...
ideascf/octopus
service/selector/_base.py
Python
mit
2,620
[ "Octopus" ]
d4d5687f41cbfffe33aa8aade7ccd03320ec1351105405265d0f44acd5b342c0