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"""This module defines a linear response TDDFT-class. """ from math import sqrt import sys import numpy as np from ase.units import Hartree import _gpaw import gpaw.mpi as mpi MASTER = mpi.MASTER from gpaw import debug from gpaw.poisson import PoissonSolver from gpaw.output import initialize_text_stream from gpaw.lr...
qsnake/gpaw
gpaw/lrtddft/__init__.py
Python
gpl-3.0
14,822
[ "ASE", "GPAW" ]
e3e72d7b386a02b245556ef6a5a8f3738f743a47193c0582eeb5c8ae8433cf30
#!/usr/bin/env python ## /*========================================================================= ## Program: Visualization Toolkit ## Module: HeaderTesting.py ## Copyright (c) Ken Martin, Will Schroeder, Bill Lorensen ## All rights reserved. ## See Copyright.txt or http://www.kitware.com/Copyright...
ashray/VTK-EVM
Testing/Core/HeaderTesting.py
Python
bsd-3-clause
17,257
[ "VTK" ]
e0b3befc5f5cb81e4cbaee4bf8840f7e42cdafde03f6f6a03fc1514e3bde7308
# coding: utf-8 from __future__ import unicode_literals, division, print_function """ Helper methods for generating gw input / and work flows. """ __author__ = "Michiel van Setten" __copyright__ = " " __version__ = "0.9" __maintainer__ = "Michiel van Setten" __email__ = "mjvansetten@gmail.com" __date__ = "May 2014" ...
rousseab/pymatgen
pymatgen/io/abinitio/helpers.py
Python
mit
6,823
[ "pymatgen" ]
fcd0f0618054997c7ea2520c48397d59efe3e14a5f76d0b16446f23381f92fa3
## \example em/pdb2density.py # A simple example showing how to simulate density from a protein. # IMP uses a Gaussian smoothing kernel. see SampledDensityMap::resample for documentation. # import IMP.em import IMP.core import IMP.atom import sys IMP.setup_from_argv(sys.argv, "pdb2density") m = IMP.Model() # read pr...
shanot/imp
modules/em/examples/pdb2density.py
Python
gpl-3.0
851
[ "Gaussian" ]
bffb4288bf22348151913d852d2e2ba19cdb7f32727b883b1ecfff8f6f0e1680
import ckan.plugins as plugins import ckan.plugins.toolkit as toolkit import ckanext.thredds.logic.action as action from ckanext.thredds import helpers import ckan.logic.validators as val from pylons import config import urllib import json import datetime class ThreddsPlugin(plugins.SingletonPlugin): plugins.impl...
ccca-dc/ckanext-thredds
ckanext/thredds/plugin.py
Python
gpl-3.0
10,660
[ "NetCDF" ]
57030de8c1062210a166a6e5f9222165b37c2f1c618cab72aa42bf2bada7eaa5
# Copyright (C) 2010-2014, Luis Pedro Coelho <luis@luispedro.org> # vim: set ts=4 sts=4 sw=4 expandtab smartindent: # # License: MIT (see COPYING file) import numpy as np from . import _convolve from . import morph from .internal import _get_output, _normalize_sequence, _verify_is_floatingpoint_type, _as_floating_poi...
fabianvaccaro/pygums
pythonLibs/mahotas-1.1.0/mahotas/convolve.py
Python
gpl-2.0
18,219
[ "Gaussian" ]
7928c5721e3ba6cb7ba0f56dc1074250bbdaefb161ccb263005171328fa8ba63
"""Functions to plot epochs data """ from __future__ import print_function # Authors: Alexandre Gramfort <alexandre.gramfort@telecom-paristech.fr> # Denis Engemann <denis.engemann@gmail.com> # Martin Luessi <mluessi@nmr.mgh.harvard.edu> # Eric Larson <larson.eric.d@gmail.com> # # License: Si...
Odingod/mne-python
mne/viz/epochs.py
Python
bsd-3-clause
19,613
[ "Gaussian" ]
4fca814025f5a96aa84fb8a14a9c859ecab1ca34f3cc734550f159ebe8d6594a
# -*- coding: utf-8 -*- import unicodedata import json import arrow import scrapy from scrapyproject.showingspiders.showing_spider import ShowingSpider from scrapyproject.items import (ShowingLoader, init_show_booking_loader) from scrapyproject.utils import TohoUtil class TohoV2Spider(ShowingSpider): """ Toho...
gas1121/JapanCinemaStatusSpider
scrapyproject/showingspiders/toho_v2.py
Python
mit
10,931
[ "VisIt" ]
90cc771a385cf9f40a4c0d38121951bedcee4fdb0e0c276fa1b240e94b180eec
import tempfile import unittest import PIL.Image import pillowfight class TestGaussian(unittest.TestCase): def test_gaussian(self): with tempfile.NamedTemporaryFile(suffix='.jpg') as tmpfile: in_img = PIL.Image.open("tests/data/crappy_background.jpg") out_img = pillowfight.gaussi...
jflesch/libpillowfight
tests/tests_gaussian.py
Python
gpl-2.0
796
[ "Gaussian" ]
222f7d9beb56be1a84a1e9c9398e66bd21801bb1af004045a37ff5cf67b5e7b4
# mako/parsetree.py # Copyright 2006-2020 the Mako authors and contributors <see AUTHORS file> # # This module is part of Mako and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """defines the parse tree components for Mako templates.""" import re from mako import ast from ma...
chromium/chromium
third_party/mako/mako/parsetree.py
Python
bsd-3-clause
19,411
[ "VisIt" ]
7a91a2e702ad640f0b729cddac45e5fe38cf18fbee3be223b834806282c0a786
""" Basic image manipulation algorithms such as Gaussian smoothing and free rebinning. :requires: NumPy :requires: SciPy :author: Sami-Matias Niemi :contact: sniemi@unc.edu :version: 0.1 """ import numpy as np import scipy.signal as s import scipy def frebin(image, nsout, nlout=1, total=False): """ Shrink ...
sniemi/SamPy
image/manipulation.py
Python
bsd-2-clause
9,087
[ "Gaussian" ]
52e1aea6cdcc76b41251ff9bdcaba28e9a8cb96eb6fb790190bc9b3b645b36fa
""" This package implements the No-U-Turn Sampler (NUTS) algorithm 6 from the NUTS paper (Hoffman & Gelman, 2011). Content ------- The package mainly contains: nuts6 return samples using the NUTS test_nuts6 example usage of this package and subroutines of nuts6: build_tree ...
vhaasteren/piccard
outliers/nutstrajectory.py
Python
gpl-3.0
25,000
[ "Gaussian" ]
24443bff754687fc7c96c2f1310df9efa3435dd52b9ed2c0ac78f2688b17fc6f
"""Loading icons.""" # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from zeroinstall import _ import gtk from logging import warn import math def load_icon(icon_path, icon_width=None, icon_height=None): """Load icon from path. Icon MUST be in PNG format. @param...
pombredanne/zero-install
zeroinstall/gtkui/icon.py
Python
lgpl-2.1
1,367
[ "VisIt" ]
ae77bf62cc6bc1a89398435e68bb5ebb904e09edaa097fc3c2081b1834ce1398
"""Example to solve 3D aqueous foam pipe flow using rheological Herschel-Bulkley power law for bulk and wall shear stress dependent slip velocity law for wall layer """ from simphony.core.cuba import CUBA from simphony.api import CUDS, Simulation from simphony.cuds.meta import api from simphony.engine import EngineI...
simphony/simphony-openfoam
foam_internalwrapper/examples/aqueous_foam_pipe_flow_steady_state.py
Python
gpl-2.0
4,455
[ "Mayavi" ]
f4f5c42afa6e36ff922ead784f7f1a5f9675329b995bdc0db21851b8af7a9dc3
import simtk.openmm.openmm as openmm import wcadimer system, _ = wcadimer.WCADimer() temperature = wcadimer.temperature collision_rate = wcadimer.collision_rate timestep = 2.0 * wcadimer.stable_timestep integrator = openmm.LangevinIntegrator(temperature, collision_rate, timestep) # Serialize openmm objects with ope...
nrego/westpa
lib/examples/wca-dimer_openmm/we_exec/build_system.py
Python
gpl-3.0
495
[ "OpenMM" ]
bf98ba8b60f06f3cc09368ff8f2386bb2319acb8c7c89ce07af41fd86e2f5f8b
import string import sys from xml.sax import saxexts from xml.sax import saxlib from UserStack import UserStack class XElement: def __init__(self, name=None, attrs=None): self.name = name self.attrs = attrs self.children = [] self.text = '' def initialize(self): pass ...
aarestad/gradschool-stuff
xml-class/python-xml/OutlineTool/outlinetool.py
Python
gpl-2.0
11,442
[ "VisIt" ]
d44684a4cf1c20483e5ea78e87fbc8c2424b4c3263de5c2bc3a13934351df62c
#============================================================================ # # Copyright (c) Kitware Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses...
matthieuheitz/VesselView
Modules/Scripted/Workflow/Workflow.py
Python
apache-2.0
14,629
[ "VTK" ]
5ee5be125a272362b45539eb0089d2902278d63f7e15166594b34408ad17f683
# Copyright (C) 2010-2018 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option) any later v...
mkuron/espresso
samples/MDAnalysisIntegration.py
Python
gpl-3.0
3,536
[ "ESPResSo", "Gromacs", "MDAnalysis" ]
dd189e72ce147148dbbdfcb7f455e157c2845bf25bd3e7a740f1ffc796e8e8d4
from __future__ import print_function, absolute_import, division from future.builtins import * from future import standard_library standard_library.install_aliases() # Copyright 2017 Autodesk Inc. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with ...
Autodesk/molecular-design-toolkit
moldesign/forcefields/ffparams.py
Python
apache-2.0
7,010
[ "Amber", "CHARMM" ]
a4193fbde0dff1789ea1fc3d8dd2328eafc0e63cd7595abcbfd5d2e4d336d683
# 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 RLumi(RPackage): """BeadArray Specific Methods for Illumina Methylation and Expression ...
LLNL/spack
var/spack/repos/builtin/packages/r-lumi/package.py
Python
lgpl-2.1
1,923
[ "Bioconductor" ]
facdf3e4f2822887d0463317f855c58a083277e747f71af31b74f0ee07d792bc
#!/usr/bin/env python # # Appcelerator Titanium Module Packager # # import os, subprocess, sys, glob, string import zipfile from datetime import date cwd = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) os.chdir(cwd) required_module_keys = ['name','version','moduleid','description','copyright','...
uchidaknet/TiCustomBGService
build.py
Python
mit
6,822
[ "VisIt" ]
b3af31daa8f9371f60724e05b0f33d039d3bee141c5e01f0840d99f2ef96e233
#!/usr/bin/env python # coding: utf-8 # # Basic ideas of the Principal Component Analysis (PCA) # # The principal component analysis deals with the problem of fitting a # low-dimensional affine subspace $S$ of dimension $d$ much smaller than # the total dimension $D$ of the problem at hand (our data # set). Mathemati...
CompPhysics/MachineLearning
doc/LectureNotes/_build/jupyter_execute/chapter8.py
Python
cc0-1.0
36,331
[ "MOE" ]
867d4994f87875adc17a279e3ce7cd4bad8733c6cba0353c8cc2bdb9da875cf7
from ase import * a = 2.70 c = 1.59 * a h = 1.85 d = 1.10 slab = Atoms('2Cu', [(0., 0., 0.), (1/3., 1/3., -0.5*c)], tags=(0, 1), pbc=(1, 1, 0)) slab.set_cell([(a, 0, 0), (a / 2, 3**0.5 * a / 2, 0), (0, 0, 1)]) slab = slab.repeat((4, 4, 1)) slab.set_calculator(E...
freephys/python_ase
tutorials/N2Ru-relax.py
Python
gpl-3.0
879
[ "ASE" ]
1818380e89eda8efd30fa7d7aaaaf069f4cf989bb37e7eb577a5933fb5dc3a7d
from __future__ import print_function import six import bz2 from json import dumps, loads from operator import itemgetter from Bio.Blast import NCBIXML from Bio.File import as_handle from dark.hsp import HSP, LSP from dark.score import HigherIsBetterScore from dark.alignments import Alignment, ReadAlignments from da...
bamueh/dark-matter
dark/blast/conversion.py
Python
mit
12,742
[ "BLAST", "Biopython" ]
e844ea9ac8c36c68133c9e22a035f8f2025e4a30dacd75078b8aebe4ab1d57a6
## @package memonger # Module caffe2.python.memonger from __future__ import absolute_import from __future__ import division from __future__ import print_function from __future__ import unicode_literals import networkx as nx import collections import time import heapq import copy from caffe2.python import workspace fro...
bwasti/caffe2
caffe2/python/memonger.py
Python
apache-2.0
38,744
[ "VisIt" ]
e3eb7c5fc516a419d89e28fa657611876c42838ebdf80aee4c5f7b8d8f1cad8b
# Docstrings for generated ufuncs # # The syntax is designed to look like the function add_newdoc is being # called from numpy.lib, but in this file add_newdoc puts the # docstrings in a dictionary. This dictionary is used in # generate_ufuncs.py to generate the docstrings for the ufuncs in # scipy.special at the C lev...
mbayon/TFG-MachineLearning
venv/lib/python3.6/site-packages/scipy/special/add_newdocs.py
Python
mit
175,349
[ "Gaussian" ]
fbce9e529ef258b59a986926491af8e1f11171c7c5fd8c670738d794b9a8b73b
#!/usr/bin/env python # -*- coding: utf-8 -*- # # Localization Compiler # import os, sys, codecs, shutil from xml.dom.minidom import parse template_dir = os.path.abspath(os.path.dirname(sys._getframe(0).f_code.co_filename)) sys.path.append(os.path.join(template_dir,'../')) from tiapp import * ignoreFiles = ['.gitig...
hieupham007/Titanium_Mobile
support/common/localecompiler.py
Python
apache-2.0
5,732
[ "VisIt" ]
3f957950583b5cbfa86eb5711e623a88ce7ac8dda720474844134e7bbd720066
#!/usr/bin/env ipython """ Analisis of sheath-from-icme for Auger Low Energy data IMPORTANT: - Note that 'structure' argument refers to MC, sheath, ICME, sheath-of-icme, taking the following possible values: 'i' : ICME 'mc' : MC 'sh.i' : sheath of ICME 'sh.mc' : sheath...
jimsrc/seatos
sheaths.icmes/src/sea_global.py
Python
mit
5,255
[ "NetCDF" ]
0db9f055fa00ab77edb434ceab2d9b115fc706e99e2562b947be65ae608e04a3
import numpy as np import theano import theano.tensor as T from smartlearner.tasks import stopping_criteria from smartlearner.utils import sharedX from smartlearner import Trainer from smartlearner.optimizers import SGD, AdaGrad from smartlearner.tasks import tasks from numpy.testing import assert_array_almost_equ...
havaeimo/smartlearner
smartlearner/optimizers/tests/tests_optimizers.py
Python
bsd-3-clause
4,539
[ "Gaussian" ]
2d6cee43446292e3a36a025d1b398b438bc92683123bc1fbc12aaaa97a8f1dbe
# -*- coding: utf-8 -*- """ NACO AGPM/Saturated PSF real-time statistics module. The main program here is run_and_process. Everything else is defined so the code is easier to follow. It is intended to be run on the offline machine at Paranal, and monitors a folder for incoming data. You should exit and relaunch ...
AnthonyCheetham/naco_ispy
monitor.py
Python
gpl-3.0
22,177
[ "Gaussian" ]
78e799fa484f9e4dd7641b1e521ad25ef012d81932ef81f5d691d09aab7e0159
# # Copied from VTK/Common/Testing/Python/PythonSmoke.py # import qt try: import vtk except: print "Cannot import vtk" qt.QApplication.exit(1) try: print dir(vtk) except: print "Cannot print dir(vtk)" qt.QApplication.exit(1) try: try: try: o = vtk.vtkLineWidget() print "Using Hybrid" ...
finetjul/CTK
Applications/ctkSimplePythonShell/Testing/Python/vtkPythonSmoke.py
Python
apache-2.0
843
[ "VTK" ]
119ab5293b2df52c94ae8beac89d2430fd8f144c9cc41c3bf30426a717202ce0
import sys import os import glob import distutils.util import doctest build_dir = "build/lib.%s-%s" % (distutils.util.get_platform(), sys.version[0:3]) sys.path.insert(0, os.path.join(os.getcwd(), build_dir)) import HTSeq py_fdn = 'python'+str(sys.version_info[0]) def test_rst_file(filename): print "Doctest of...
simon-anders/htseq
python2/test/test.py
Python
gpl-3.0
1,384
[ "HTSeq" ]
e41d1eabc5c073141ae8b784cfc28b1568a1c8a30342d40b6537123da3cbc458
#!/usr/bin/python """ A simple routine to load in a LIGGGHTS hybrid dump file containing contact and contact force data and convert into a .vtk unstructured grid which can be used to visualise the force network. This routine also writes the length of the connection between particles, in order to be able to filter out i...
CFDEMproject/LPP
src/dump2force.py
Python
gpl-2.0
13,376
[ "LAMMPS", "ParaView", "VTK" ]
f71a993bbafd9feca52d68e353f1b5d076566577712f8183fda5b39588df2947
# coding: utf-8 # # Copyright 2012 NAMD-EMAP-FGV # # This file is part of PyPLN. You can get more information at: http://pypln.org/. # # PyPLN 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 o...
NAMD/pypln.backend
pypln/backend/workers/spellchecker.py
Python
gpl-3.0
1,891
[ "NAMD" ]
3869b400dfccb0bbb8ca3ca2d8294e239f151e82f009fd15add58bdc30af2103
#!/usr/bin/env python3 import itertools from collections import defaultdict import logging from operator import mul import networkx as nx import numpy as np import pandas as pd from pgmpy.base import DirectedGraph from pgmpy.factors.discrete import TabularCPD, JointProbabilityDistribution, DiscreteFactor from pgmpy....
sandeepkrjha/pgmpy
pgmpy/models/BayesianModel.py
Python
mit
36,803
[ "VisIt" ]
2f2750e2cf865c64b1d29ece39eb8a3edca24d3b003996ee02a22465a32f5c6f
import h5py import os #import ipdb import pdb import re import numpy as npexit from pylayers.antprop.channel import * from pylayers.util.project import * import pylayers.util.pyutil as pyu import ConfigParser import numpy.linalg as la from numpy.linalg import svd from numpy.fft import * import time """ Module to hand...
dialounke/pylayers
pylayers/measures/exploith5.py
Python
mit
38,000
[ "BLAST", "Gaussian" ]
833adca3201bbf99f0b3dd714876cad26fbdca3deaef6345880ed99a3a50a365
from modules.basemodule import BaseModule import collections import json import os import pprint import re import shutil import time def log(*args, **kwargs): print(*args, **kwargs) def roomnr(x): # CoffeeMud, Mob Factory exits are negative but room IDs are positive return str(abs(x)) reverse = { ...
cizra/pycat
modules/mapper.py
Python
unlicense
29,718
[ "VisIt" ]
6efb8e230de3b1ba349aaf052e831220c3d55c202e050fc5cc9f8e2b8c92e4a8
import pyspeckit import numpy as np from pyspeckit.spectrum.models import voigtfitter # technically, the voigt fitter works as a singlefitter (i.e., you can fit the # background level and the peak simultaneously) # in practice, however, you need to fit the background independently except for # gaussians. I don't kno...
keflavich/pyspeckit-obsolete
examples/multivoigt.py
Python
mit
1,985
[ "Gaussian" ]
0ea2eb14e337a57e3a1b898a3261b5d9fba1ce69351a3138215957449d8d6607
import io import os from django.conf import settings from django.contrib import messages from django.http import FileResponse from django.shortcuts import get_object_or_404, redirect from django.template import loader from django.urls import reverse, reverse_lazy from django.utils import timezone from django.utils.tex...
epcoullery/epcstages
candidats/views.py
Python
agpl-3.0
7,969
[ "ASE" ]
8ed645561a364df1460a5d9b39fe14a71224ded72ef50e59b4c7879cdbe80695
from kivy.app import App from kivy.core.window import Window from kivy.event import EventDispatcher from kivy.logger import Logger from kivy.metrics import Metrics from kivy.properties import * # NumericProperty, ReferenceProperty... from kivy.uix.screenmanager import ScreenManager, SlideTransition ''' Notes on lazy...
knappador/kivy-android-nativer
src/controllers.py
Python
mit
9,416
[ "Galaxy" ]
e6f570c0d1789d130d99e73d3d823187d27e36ebf36287a067da2e0728c634ce
import logging import os from tool_shed.util import common_util log = logging.getLogger( __name__ ) # String separator STRSEP = '__ESEP__' def generate_repository_dependencies_key_for_repository( toolshed_base_url, repository_name, repository_owner, changeset...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/tool_shed/util/container_util.py
Python
gpl-3.0
3,141
[ "Galaxy" ]
8c19195c89bf9e3aebbaf0d28ec501d78221541a7997ecf5f12f187229f1617a
# ast.py # Copyright (C) Mako developers # # This module is part of Mako and is released under # the MIT License: http://www.opensource.org/licenses/mit-license.php """Handles parsing of Python code. Parsing to AST is done via _ast on Python > 2.5, otherwise the compiler module is used. """ from StringIO...
codendev/rapidwsgi
src/mako/pyparser.py
Python
gpl-3.0
17,291
[ "VisIt" ]
4fc462b220a69b0d65b416c447478102516caab743cf1bba67cc2d84f383e4e3
__all__ = ["install"] from panda3d.core import * from direct.directnotify.DirectNotifyGlobal import directNotify from direct.showbase.PythonUtil import fastRepr import sys import traceback notify = directNotify.newCategory("ExceptionVarDump") reentry = 0 def _varDump__init__(self, *args, **kArgs): global reentr...
grimfang/panda3d
direct/src/showbase/ExceptionVarDump.py
Python
bsd-3-clause
6,999
[ "VisIt" ]
e0bfd2d450cacf4f4d5043b90f51101bb4e6594ea0e103c15db2017557b7374a
import pysam import sys def vcf_record_count(vcf): v = pysam.VariantFile(vcf) print(len(list(v.fetch()))) if __name__ == "__main__": vcf_record_count(sys.argv[1])
uc-cdis/cwl
genomel/docker/variant_calling/post_freebayes/pysam_vcf_check.py
Python
apache-2.0
177
[ "pysam" ]
765949f39593f344d1879602d6515bf9e25143b65c970a94db0482c711979712
import csv import mapdamage import pysam import math import logging import time class RescaleError(RuntimeError): pass def _phred_pval_to_char(pval): """ Transforming error rate to ASCII character using the Phred scale""" return chr(int(round(-10 * math.log10(abs(pval))) + 33)) def _phred_char_to_pval...
ginolhac/mapDamage
mapdamage/rescale.py
Python
mit
13,609
[ "pysam" ]
8cb91050d17dfc608e3f4b7e4f927b701e62dedd5297080f349b6de87c481c09
#!/usr/bin/env python3 #* This file is part of the MOOSE framework #* https://www.mooseframework.org #* #* All rights reserved, see COPYRIGHT for full restrictions #* https://github.com/idaholab/moose/blob/master/COPYRIGHT #* #* Licensed under LGPL 2.1, please see LICENSE for details #* https://www.gnu.org/licenses/lgp...
harterj/moose
python/MooseDocs/test/tree/test_html.py
Python
lgpl-2.1
1,407
[ "MOOSE" ]
33829c4e560d0da5d3fc7e7bfac2e310c860a53e7c3e730985bab24d21a29789
# Copyright 2001-2004 Brad Chapman. # Revisions copyright 2009-2013 by Peter Cock. # 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. """General mechanisms to access applications i...
poojavade/Genomics_Docker
Dockerfiles/gedlab-khmer-filter-abund/pymodules/python2.7/lib/python/Bio/Application/__init__.py
Python
apache-2.0
30,870
[ "BLAST", "Biopython" ]
6e4156ec8652798fabe19158003743cddbe34c10eb96ca64d53ddf8d6a4e2db6
import cv2 import numpy as np import sys def order_points(pts): # initialzie a list of coordinates that will be ordered # such that the first entry in the list is the top-left, # the second entry is the top-right, the third is the # bottom-right, and the fourth is the bottom-left rect = np.zeros((4...
Hubert51/AutoGrading
Web/main.py
Python
mit
20,714
[ "Gaussian" ]
d0d1f1f843797365832fceaf383542824b229bf69071ef836010936467390538
import logging from pytopol.parsers import blocks lgr = logging.getLogger('mainapp.utils') def build_res_chain(m): # using a molecule object with atoms, builds residues and chains R = None residues = [] for i, a in enumerate(m.atoms): if R is None or (a.resname != R.name or ...
resal81/PyTopol
pytopol/parsers/utils.py
Python
gpl-3.0
2,017
[ "CHARMM", "Gromacs" ]
b2e2ad5b4bb9af08417c77aec69321555270998404fa0fe811e80256d533a1d7
""" ============== PopVis Example ============== """ # Authors: Mayank Agrawal <mayankagrawal96@gmail.com> # # License: MIT ######################################################## import numpy as np import matplotlib.pyplot as plt import pandas as pd from spykes.plot.neurovis import NeuroVis from spykes.plot.popvi...
codekansas/spykes
examples/plot_popvis_example.py
Python
mit
5,338
[ "NEURON" ]
9e195ede43901b5a3d7b00c5b5fe60eaea82984ee7bc5f5696dc5f03aebfb37f
""" Code used for running the package directly from the Command Line """ import os.path import logging import argparse import sys from .db import AvailabilityDB from .core import AvailabilityInfo from .reports import ALL_REPORTS from .settings import get_settings def run(): # ----------------------...
supernathan23/dn_availability
dn_availability/cli.py
Python
mit
13,300
[ "VisIt" ]
96494def86ae796a7b7d2b4709d12c470f738bcefec968ac9c06bf18e3cb6499
""" The Grid module contains several utilities for grid operations """ import os import re from DIRAC.Core.Utilities.Os import sourceEnv from DIRAC.FrameworkSystem.Client.ProxyManagerClient import gProxyManager from DIRAC.Core.Security.ProxyInfo import getProxyInfo from DI...
andresailer/DIRAC
Core/Utilities/Grid.py
Python
gpl-3.0
15,874
[ "DIRAC" ]
f3cac8a3db307ff3e51bf893255d839dc0dc8be0d081a3ff031d674a50a5cc0a
# -*- encoding:utf-8 -*- from __future__ import division, absolute_import, print_function import sys, textwrap from numpydoc.docscrape import NumpyDocString, FunctionDoc, ClassDoc from numpydoc.docscrape_sphinx import SphinxDocString, SphinxClassDoc from nose.tools import * if sys.version_info[0] >= 3: sixu = la...
AdaptiveApplications/carnegie
tarc_bus_locator_client/numpy-1.8.1/doc/sphinxext/numpydoc/tests/test_docscrape.py
Python
mit
18,326
[ "Gaussian" ]
472280f74ebd9cca80d80caa85764c70465a63e5b9a18c07112c276461c05116
""" Author: Remi Lafage <remi.lafage@onera.fr> This package is distributed under New BSD license. Mixture of Experts """ # TODO : support for best number of clusters # TODO : implement verbosity 'print_global' # TODO : documentation import numpy as np import warnings OLD_SKLEARN = False try: # scikit-learn < 0.20....
relf/smt
smt/applications/moe.py
Python
bsd-3-clause
24,509
[ "MOE" ]
d76eea468a68aed612afcde83145bcf00622d9b41ada42f6526dda8ce67cda9a
#!/usr/bin/python # # Copyright (C) 2018-2019 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your...
mkuron/espresso
maintainer/gh_post_style_patch.py
Python
gpl-3.0
3,132
[ "ESPResSo" ]
b772a298f2dc7899e33d5911f3c9a126ef1776bbab07a12a8341bc234233f521
import discord, asyncio, logging, time, threading, markovify, psutil, posixpath, platform, re, requests, os, time, shutil, glob, textwrap, datetime, json from pprint import pprint import random from random import randint import PIL from PIL import ImageFont from PIL import Image from PIL import ImageDraw from pyfiglet ...
ZerataX/ebooks
ebooks.py
Python
gpl-3.0
39,538
[ "VisIt" ]
c7903bde6ffad2aa94048c4e127a9344306f57ef4ace190a7dbbe849f1ecc072
# Copyright 2015, Kay Hayen, mailto:kay.hayen@gmail.com # # Part of "Nuitka", an optimizing Python compiler that is compatible and # integrates with CPython, but also works on its own. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in complianc...
tempbottle/Nuitka
nuitka/nodes/NodeBases.py
Python
apache-2.0
41,638
[ "VisIt" ]
2e8565e712e458882539bd9cc523eb5400de8b7a57649e9c5e9fd88502a390a5
######################################################################## # File : FC_Scaling_test # Author : Andrei Tsaregorodtsev ######################################################################## """ Test suite for a generic File Catalog scalability tests """ __RCSID__ = "$Id$" from DIRAC.Core.Base impor...
Andrew-McNab-UK/DIRAC
tests/Integration/DataManagementSystem/FC_scaling_test.py
Python
gpl-3.0
10,751
[ "DIRAC" ]
54ef00daf22d0e615f9a37b5817e1cbd612e65ce08ca6af1eab9bbbb38836814
# First pass at loading and running a cell model import os os.environ['NUMPTHREADS'] = '1' import moose import proto18 def dumpPlots( fname ): if ( os.path.exists( fname ) ): os.remove( fname ) tab.xplot( fname, 'soma.Vm' ) catab.xplot( fname, 'soma.Ca' ) library = moose.Neutral( '/library' ) moose.setCwe( '/l...
dilawar/moose-full
moose-examples/snippets/MULTI/runcell18.py
Python
gpl-2.0
1,706
[ "MOOSE" ]
ffde5db0038db9eb5f9c1ba23e36fe0d8cb6d400f98984693d8cea1fcd6e5c6e
# coding: utf8 { ' Quotas: %(quotas)s x%(quota_amount).2f': ' Quotas: %(quotas)s x%(quota_amount).2f', ' Transaction number: %s': ' Transaction number: %s', '"update" is an optional expression like "field1=\'newvalue\'". You cannot update or delete the results of a JOIN': '"update" je voliteľný výraz ako "field1=\'newv...
reingart/gestionlibre
languages/sk-sk.py
Python
agpl-3.0
16,860
[ "VisIt" ]
d793213d63e43ae7c0f95d85412ca2f6fc65f01604d678fa180e61b76eff95f5
from __future__ import division from collections import defaultdict from math import sqrt, log import numpy as np from scipy.spatial.distance import cdist, pdist from sklearn.utils import check_random_state def inertia(X, labels, metric='sqeuclidean', p=2): """ Given data and their cluster assigment, comp...
sarajcev/nowcasting
cluster_metrics.py
Python
gpl-3.0
24,358
[ "Gaussian" ]
3bfc4925a5d928e740f535bb08286b95a3125586658006758396f4c5e32b18cc
# -*- encoding: utf-8 -*- """ synthetic.py : To obtain the characteristic size of the point spread function (PSF) of a microscope system, and to generate simulated images containing one or multiple spots (PSF's). Copyright (C) 2021 Andries Effting, Delmic This program is free software; you can redistribute it and/or...
pieleric/odemis
src/odemis/util/synthetic.py
Python
gpl-2.0
4,092
[ "Gaussian" ]
cc00b73e1a04b9ddbcb1f2e6194af2833f5f9f0b9395456d556731367adfd370
#!/usr/bin/env python # Author: Andrew Jewett (jewett.aij at g mail) # http://www.chem.ucsb.edu/~sheagroup # License: 3-clause BSD License (See LICENSE.TXT) # Copyright (c) 2011, Regents of the University of California # All rights reserved. """ lttree_check.py The original template file format supports any...
SGenheden/lammps
tools/moltemplate/src/lttree_check.py
Python
gpl-2.0
133,762
[ "LAMMPS" ]
280ab7443fcdcd5528d31e8f198bbf3cc53fc2309cc9f457308d2667e30e94bc
#!/usr/bin/env python """ Save polynomial basis on reference elements or on a mesh for visualization into a given output directory. """ from __future__ import absolute_import import sys from six.moves import range sys.path.append('.') import os from argparse import ArgumentParser import numpy as nm from sfepy.base.bas...
vlukes/sfepy
script/save_basis.py
Python
bsd-3-clause
10,029
[ "VTK" ]
286d683e764b4ea846b6c897f7aae6a75723cf1d52495c1f1f7c3a241aede96d
from django.db import migrations, models class Migration(migrations.Migration): dependencies = [ ('third_party_auth', '0009_auto_20170415_1144'), ] operations = [ migrations.AddField( model_name='ltiproviderconfig', name='skip_hinted_login_dialog', fie...
eduNEXT/edunext-platform
common/djangoapps/third_party_auth/migrations/0010_add_skip_hinted_login_dialog_field.py
Python
agpl-3.0
1,526
[ "VisIt" ]
68413ca10327e98fd81b75a6414e00b6514936ea74236c1f12f1530f5fbfe0c2
import matplotlib.pyplot as plt import numpy as np import time from matplotlib.path import Path pi=np.pi # "dirac_sheet.py" is an object class that defines a 2D discretized sheet for calculating solutions to the # time-domain solutions of the Dirac equation. It implements a staggered time and staggered space d...
arthurbarnard/Dirac_simulation
dirac_sheet.py
Python
gpl-3.0
12,611
[ "DIRAC" ]
5289ed6196fee181bf7369c87eb00c6478b99bc0fc6c031b721efe913d610b54
import numpy as np from mayavi import mlab from BDQuaternions import Conventions, EulerAngles from BDSpace.Coordinates import Cartesian import BDSpaceVis as Visual # Create cartesian coordinate system convention = Conventions().get_convention('Bunge') # if you don't pass arguments the basis coincide with 'Absolute'...
bond-anton/Space_visualization
demo/03_euler_angles_precession.py
Python
apache-2.0
1,473
[ "Mayavi" ]
a391af9cb6d4351e253b83c32bef09f4661534bd6d86e38eb04587f8014aa2a6
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() def GetRGBColor(colorName): ''' Return the red, green and blue components for a color as doubles. ''' rgb = [0.0, 0.0, 0.0] # black vtk.vt...
hlzz/dotfiles
graphics/VTK-7.0.0/Filters/Core/Testing/Python/constrainedDelaunay.py
Python
bsd-3-clause
4,603
[ "VTK" ]
296496da2c7ecfc67fa591175632ddc511b12f8c843afde6d2d65c576bcbdcc1
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals """ This module provides classes for plotting Pourbaix objects. """ import six from six.moves import map from six.moves import zip __author__ = "Sai Jayarama...
sonium0/pymatgen
pymatgen/analysis/pourbaix/plotter.py
Python
mit
24,142
[ "pymatgen" ]
43472bcd65dac1448988b34ccc25e8930541096bd82504a9f9af30e55607a8f4
# Orca # # Copyright (C) 2013-2014 Igalia, S.L. # # Author: Joanmarie Diggs <jdiggs@igalia.com> # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (...
chrys87/orca-beep
src/orca/scripts/toolkits/GAIL/script.py
Python
lgpl-2.1
5,302
[ "ORCA" ]
fc74a08f12daee81d78b2c4df43ff0d4f63446043bb058ab1b6d65fd168fcbdd
# # Copyright 2014, 2018 James Kermode (Warwick U.) # # matscipy - Materials science with Python at the atomic-scale # https://github.com/libAtoms/matscipy # # 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 ...
libAtoms/matscipy
scripts/fracture_mechanics/run_ideal_brittle_solid.py
Python
lgpl-2.1
6,486
[ "ASE", "CRYSTAL", "Matscipy" ]
77dfaf298b340c9eec76184b23c02ea268c80572a708bdc83d8fa6bef22a9b5d
from lib_spm import * from scipy.stats import norm #out_dir = os.path.join('/data42s/comparat/firefly/v1_1_0/figures', 'mass-redshift-presentation') out_dir = os.path.join(os.environ['HOME'], 'wwwDir', 'firefly') def plotDIFF(imf_ref, imf_1, imf_2, m_bins = n.arange(-10., 10., 0.1)): print('eboss') stellar_mass = im...
JohanComparat/pySU
spm/bin_SMF/plot_differences_age.py
Python
cc0-1.0
6,094
[ "Firefly", "Galaxy" ]
f0abc5d41ea1a3c4c95b423ebb9aa9de6ac369b7d7bf124de9fbdda4b1e64271
#!/usr/bin/env python from __future__ import division import unittest import numpy as np import warnings from pymatgen.core.lattice import Lattice from pymatgen.core.operations import SymmOp from pymatgen.symmetry.groups import PointGroup, SpaceGroup __author__ = "Shyue Ping Ong" __copyright__ = "Copyright 2012, The ...
tallakahath/pymatgen
pymatgen/symmetry/tests/test_groups.py
Python
mit
6,002
[ "pymatgen" ]
ca0d5c1901692e0e7febab0add29a3222ad9d0e6fb1e5aa569e493d02323767b
# -*- coding: utf-8 -*- # ## we set up default information. ## first, easy to maintain lists which can eventually be moved to ## files. from typing import Collection, List, Mapping from .abstractLang import AbstractLanguage class Language(AbstractLanguage): # TRANSLATOR WARNING: DO NOT TRANSLATE THE FIELD NAME...
kirienko/gourmet
src/gourmet/defaults/defaults_nl.py
Python
gpl-2.0
25,199
[ "Octopus" ]
dc03a825f4102be070f57918b210c13ccf704ba23eed83f06c04ac366cb17c55
#!/usr/bin/env python # -*- encoding: utf-8 -*- from __future__ import print_function import h2o import sys sys.path.insert(1,"../../../") # allow us to run this standalone from h2o.estimators.random_forest import H2ORandomForestEstimator from h2o.estimators.gbm import H2OGradientBoostingEstimator from h2o.estimato...
spennihana/h2o-3
h2o-py/tests/testdir_algos/stackedensemble/pyunit_stackedensemble_gaussian.py
Python
apache-2.0
7,384
[ "Gaussian" ]
c4c752d86a627ef2f90d4eeef59d225fcb38ea1c1214bf42151b6b522b9f2505
#!/usr/bin/env python # -*- coding: utf-8 -*- # Copyright 2007 Philippe LAWRENCE # # This file is part of pyBar. # pyBar 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 Licens...
wood-galaxy/pyBarEC
pyBar.py
Python
gpl-2.0
93,060
[ "FLEUR" ]
e0ebe0fc3fcf2f2a60f1f97c6c1b092d399398f567e349be35fed12fc7acceff
""" .. module:: components :platform: Unix :synopsis: module containing definitions of component objects in pysm. .. moduleauthor: Ben Thorne <ben.thorne@physics.ox.ac.uk> """ from __future__ import absolute_import, print_function import numpy as np import healpy as hp import os, sys, time import scipy.constant...
bthorne93/PySM_public
pysm/components.py
Python
mit
51,029
[ "Gaussian" ]
b94c987b6bdfb44cda6c68d2435e4bd2e3cf8149a4ed16d088479f8831ef6478
import logging import os import shutil import sys from string import Template from galaxy.util import unicodify from galaxy import eggs eggs.require( 'MarkupSafe' ) import markupsafe log = logging.getLogger( __name__ ) CHUNK_SIZE = 2**20 # 1Mb INSTALLATION_LOG = 'INSTALLATION.log' # Set no activity timeout to 20 m...
mikel-egana-aranguren/SADI-Galaxy-Docker
galaxy-dist/lib/tool_shed/util/basic_util.py
Python
gpl-3.0
5,198
[ "Galaxy" ]
324fb61b55cf6e16e7b410565ec65161fe172d3adbeac0743ac91a6fad5e7efe
# Copyright (c) 2006-2011, 2013-2014 LOGILAB S.A. (Paris, FRANCE) <contact@logilab.fr> # Copyright (c) 2011, 2013-2014 Google, Inc. # Copyright (c) 2013-2016 Claudiu Popa <pcmanticore@gmail.com> # Copyright (c) 2015 Steven Myint <hg@stevenmyint.com> # Licensed under the GPL: https://www.gnu.org/licenses/old-licenses/g...
arju88nair/projectCulminate
venv/lib/python3.5/site-packages/pylint/checkers/exceptions.py
Python
apache-2.0
16,120
[ "VisIt" ]
2bd1cfbefcaa5e2af8a9a3a0e9ca7a96fc3dbdf802876ee61ad710604eae7472
#!/usr/bin/env python # # This file is part of Buildbot. Buildbot 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, version 2. # # This program is distributed in the hope that it will be useful, but WITHOUT # A...
mitya57/debian-buildbot
setup.py
Python
gpl-2.0
8,524
[ "Brian" ]
8adb0cae5384f176ede467425e51a4672e100fd17eccc110683b87f4b6a2ddd1
from __future__ import absolute_import, division, print_function import contextlib import itertools import os.path import pickle import shutil import sys import tempfile import unittest import warnings from io import BytesIO import numpy as np import pandas as pd import pytest import xarray as xr from xarray import ...
jcmgray/xarray
xarray/tests/test_backends.py
Python
apache-2.0
121,213
[ "NetCDF" ]
1cff333ed4a0093b5c44fe6878cf88d2f80409fb35599e7c20ff659d3a5b26fa
# -*- coding: utf-8 -*- from __future__ import absolute_import, print_function, unicode_literals from builtins import object, dict, str import os import json import logging import networkx as nx from indra.statements import Influence # Python 2 try: basestring # Python 3 except: basestring = str logger = logg...
pvtodorov/indra
indra/assemblers/cag/assembler.py
Python
bsd-2-clause
12,390
[ "Cytoscape" ]
2dd5f7cb6d2b9da981886903434a9ae65f49a868c3ff94d63f12a3c12cbe73df
# $Id$ # # Copyright (C) 2003 Rational Discovery LLC # All Rights Reserved # import sys from rdkit import six from rdkit.VLib.Node import VLibNode class TransformNode(VLibNode): """ base class for nodes which filter their input Assumptions: - transform function takes a number of arguments equal to th...
jandom/rdkit
rdkit/VLib/Transform.py
Python
bsd-3-clause
1,971
[ "RDKit" ]
432d541534fd1caeb2c1a938244cd33144536604178bef85f45f7ae48f65ee6e
from ._MultiNEAT import * def Scale(a, a_min, a_max, a_tr_min, a_tr_max): t_a_r = a_max - a_min if t_a_r == 0: return a_max t_r = a_tr_max - a_tr_min rel_a = (a - a_min) / t_a_r return a_tr_min + t_r * rel_a def Clamp(a, min, max): if a < min: return min elif a > max: ...
peter-ch/MultiNEAT
MultiNEAT/viz.py
Python
lgpl-3.0
13,883
[ "NEURON" ]
730d7403255204a41e8b0142cc684a89686fed4c16a0407f5c99dc7ad18a7c2f
from ase import * atoms = Atoms('H7', positions=[(0, 0, 0), (1, 0, 0), (0, 1, 0), (1, 1, 0), (0, 2, 0), (1, 2, 0), (0.5, 0.5, 1)], constraint...
freephys/python_ase
ase/test/example.py
Python
gpl-3.0
627
[ "ASE" ]
bcb75adf627f93fe7d0005c0f47acf782d255d59b5f6d224ef0867bb7c06e14f
#!/usr/bin/env python #from sumatra.projects import load_project #from sumatra.parameters import build_parameters #from sumatra.decorators import capture from ruffus import * import sys import os import time import datetime import drmaa from omics_pipe.utils import * from omics_pipe.parameters.default_parameters imp...
adammaikai/OmicsPipe2.0
omics_pipe/ChIPseq.py
Python
mit
3,774
[ "Bowtie" ]
a05fa93fcf195e639cb875810cfd0cdb54179efb39cc7a1bbcf1b5c27ad3f9b1
#!/usr/bin/env python2 # vim:fileencoding=utf-8 from __future__ import (unicode_literals, division, absolute_import, print_function) __license__ = 'GPL v3' __copyright__ = '2015, Kovid Goyal <kovid at kovidgoyal.net>' import httplib, hashlib, zlib, string, time from io import BytesIO from temp...
ashang/calibre
src/calibre/srv/tests/http.py
Python
gpl-3.0
17,003
[ "MOOSE" ]
935ff2fbd919ff606fda17408e4aaab63b148154d0a822c12397411713b2c3df
import warnings import numpy as np import pandas as pd import xarray import scipy.stats as st import numba try: import pymc3 as pm except: pass import arviz as az import arviz.plots.plot_utils import scipy.ndimage import skimage import matplotlib._contour from matplotlib.pyplot import get_cmap as mpl_get_c...
justinbois/bebi103_utils
bebi103/viz.py
Python
mit
91,620
[ "Gaussian" ]
499f89c0d03a6a665e152e44adee807e8f26c94fc66b0fa06405ee1e701cda3e
#=============================================================================== # This file is part of TEMPy. # # TEMPy is a software designed to help the user in the manipulation # and analyses of macromolecular assemblies using 3D electron microscopy maps. # # Copyright 2015 Birkbeck Colleg...
OniDaito/ChimeraXTempy
TEMPy/Consensus.py
Python
mit
24,096
[ "Gaussian" ]
94340f6d31d3c47b29a5052713cc8aa463393b29e13eada40e1eb449f43407a9
from django import forms from django.contrib.admin.widgets import AdminRadioSelect, AdminRadioFieldRenderer from edc_base.form.forms import BaseModelForm from microbiome.apps.mb.choices import VISIT_REASON, VISIT_INFO_SOURCE, MATERNAL_VISIT_STUDY_STATUS, INFO_PROVIDER from ..models import MaternalVisit, MaternalConse...
botswana-harvard/microbiome
microbiome/apps/mb_maternal/forms/maternal_visit_form.py
Python
gpl-2.0
1,637
[ "VisIt" ]
9708c0feb088fdd3ee1e587e9553718079976b7c33afb776c51c06090381789e
""" Python test discovery, setup and run of test functions. """ import enum import fnmatch import inspect import itertools import os import sys import typing import warnings from collections import Counter from collections import defaultdict from collections.abc import Sequence from functools import partial from typing...
alfredodeza/pytest
src/_pytest/python.py
Python
mit
58,223
[ "VisIt" ]
c7faf15a568c66b1240dbcb7c27891b4b842ceeb978d4cbe1d84d892b6462028
"""A quick DOM implementation. Python's xml.dom is very slow. The xml.sax module is also slow (as it imports urllib2). This is our light-weight version. """ # Copyright (C) 2009, Thomas Leonard # See the README file for details, or visit http://0install.net. from xml.parsers import expat class Element(object): """...
timdiels/0install
zeroinstall/injector/qdom.py
Python
lgpl-2.1
3,773
[ "VisIt" ]
1714883cfab613e7907c6365d11b22b219c826115da978ea82fe40ef2c136cd0
# This file is part of Merlin/Arthur. # Merlin/Arthur is the Copyright (C)2009,2010 of Elliot Rosemarine. # Individual portions may be copyright by individual contributors, and # are included in this collective work with permission of the copyright # owners. # This program is free software; you can redistribute it an...
d7415/merlin
Arthur/views/home.py
Python
gpl-2.0
5,398
[ "Galaxy" ]
9e39357e12c8fdce65d7d4e0d8259bda798476da09640eeae03b411c97c265bc
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals import math import os import json import collections import itertools from abc import ABCMeta, abstractmethod import random import warnings from fnmatch import...
nisse3000/pymatgen
pymatgen/core/structure.py
Python
mit
140,131
[ "ABINIT", "CRYSTAL", "Gaussian", "NetCDF", "VASP", "exciting", "pymatgen" ]
813b028daa79cc00a88a9007dba59f180bda8550f7acc61b26e6b97c99cf916d
"""Internal helper files for user output.""" __author__ = ("Luc Anselin luc.anselin@asu.edu, " "David C. Folch david.folch@asu.edu, " "Levi John Wolf levi.john.wolf@gmail.com, " "Jing Yao jingyao@asu.edu") import numpy as np import copy as COPY from . import diagnostics from ....
lixun910/pysal
pysal/model/spreg/user_output.py
Python
bsd-3-clause
18,352
[ "COLUMBUS" ]
150b747e7469b942a7f89dab493c94afdce4cecad043e8e4ab10b0f8616e43fb
# *************************************************************************** # * # * Copyright (C) 2013-2016 University of Dundee # * All rights reserved. # * # * This file is part of SAMoS (Soft Active Matter on Surfaces) program. # * # * SAMoS is free software; you can redistribute it and/or modify # * it unde...
sknepneklab/SAMoS
utils/Writer.py
Python
gpl-3.0
8,769
[ "VTK" ]
378a5322ef4615ee907fceada7291fb94df00bafbc7159f173f2412bb87f76b9
from kinko.nodes import Symbol, Tuple, String, Number, Keyword, Dict, List from kinko.nodes import Placeholder, NodeVisitor from kinko.errors import Errors from kinko.parser import parser, parse as _parse, ParseError, DICT_ERROR from kinko.parser import IMPLICIT_TUPLE_ERROR, EXPLICIT_TUPLE_ERROR from .base import NODE...
vmagamedov/kinko
tests/test_parser.py
Python
bsd-3-clause
8,627
[ "VisIt" ]
f3c079755b0deb5a95e314c3be802a2a3bec1fbdc720309eb153f90f6e0a6277
######################################################################## # # File: cmdline.py # Author: Alex Samuel # Date: 2001-03-16 # # Contents: # QMTest command processing # # Copyright (c) 2001, 2002, 2003 by CodeSourcery, LLC. All rights reserved. # # For license terms see the file COPYING. # ###########...
MentorEmbedded/qmtest
qm/test/cmdline.py
Python
gpl-2.0
68,308
[ "VisIt" ]
1f24ab87349536922d2bc408adb2b46e14297300a9d5074549be3c44905bbb9b
""" StorageManagementDB is a front end to the Stager Database. There are five tables in the StorageManagementDB: Tasks, CacheReplicas, TaskReplicas, StageRequests. The Tasks table is the place holder for the tasks that have requested files to be staged. These can be from different systems and have differen...
sposs/DIRAC
StorageManagementSystem/DB/StorageManagementDB.py
Python
gpl-3.0
62,782
[ "DIRAC" ]
752de7ca12b454687c8e584eef4f05a03f4f35a3bc2a17ba10583cbabdc75458
# coding=utf-8 # Copyright 2022 The Google Research 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 applicab...
google-research/google-research
mol_dqn/chemgraph/dqn/deep_q_networks.py
Python
apache-2.0
30,250
[ "RDKit" ]
40f92a411fb3dce4396ba020579b1429f5227e0f4c35ee581a1e20cb2b04c3b1