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# -*- coding: utf-8 -*- from __future__ import unicode_literals from datetime import datetime import os from unittest import TestCase from django.utils import html, safestring from django.utils._os import upath from django.utils.encoding import force_text class TestUtilsHtml(TestCase): def check_output(self, f...
errx/django
tests/utils_tests/test_html.py
Python
bsd-3-clause
7,061
[ "ADF" ]
779ca181af51742c25d2dc9842f8bd1169af978918e84629c9b4321e927d3be3
from __future__ import division import abc import numpy as np from menpo.transform import Scale, AlignmentAffine from menpo.fitmultilevel.functions import noisy_align, align_shape_with_bb from .algorithm import (StandardAAMInterface, LinearAAMInterface, PartsAAMInterface, AIC_GN) from .result ...
jalabort/ijcv-2014-aam
aam/fitter.py
Python
bsd-2-clause
15,070
[ "Gaussian" ]
9b10d517da3978e8ee77aaf55599ba91bd5752b96005ad6eb305cb9b4b2a627e
from property import * # Layer GLu GABA L1_ratio = (8, 0) #only glu L2_ratio = (16, 4) L3_ratio = (32, 0) #only glu L4_ratio = (26, 6) L5_ratio = (42, 0) #only glu L6_ratio = (74, 0) #only glu # Neuron number in layer L1_NN = GlobalColumns * sum(L1_ratio) L2_NN = GlobalColumns * sum(L2_ratio) L3_NN = GlobalC...
research-team/NEUCOGAR
NEST/visual/association/scripts/data.py
Python
gpl-2.0
2,489
[ "NEURON" ]
9ae234ab0f27f3b0cfe26c9a7449b3192794eccea839ab5f58d5eb7f18bebfa0
""" Statistics (:mod:`skbio.stats`) =============================== .. currentmodule:: skbio.stats This package contains various statistical methods, including ordination techniques and distance matrix-based statistics. Subpackages ----------- .. autosummary:: :toctree: generated/ distance evolve ordin...
gregcaporaso/scikit-bio
skbio/stats/__init__.py
Python
bsd-3-clause
919
[ "scikit-bio" ]
ead30529b5ecd61690ab4d15f128f217880a4af5257d3730731f9b9cc10e3fd2
from ase import * from gpaw.atom.all_electron import AllElectron from gpaw.test import equal data = [] def out(a,b,c,d,e,f): data.append( (a,b,c,d,e,f) ) ETotal = {'Be': -14.572+0.012, 'Ne': -128.548 -0.029, 'Mg': -199.612 - 0.005 } EX = {'Be': -2.666 - 0.010, 'Ne': -12.107 -0.122, 'Mg': -15.992 -0.092 } EHOMO = ...
robwarm/gpaw-symm
gpaw/test/gllbatomic.py
Python
gpl-3.0
1,508
[ "ASE", "GPAW" ]
e6c4594ce08a16677a84c3f6b6957332be2e14849b407f1cdab6af37612dbb02
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/molecules/molecule.py
Python
apache-2.0
45,660
[ "GAMESS" ]
fe9cca4ad918565c269f7f7f0496c7af649e9ce3615bb827c5aad8397e13c6f1
# # Adrian Soto # 22-12-2014 # Stony Brook University # ################################################ # Plot band structure and DOS from the # output of the bands.x program in the # Quantum Espresso package. # # Features: # 1) Allows for scissor correction (band shift) # 2) # ###################################...
adrian-soto/QEdark_repo
tools/bandsndos/bandsndos_mirror.py
Python
gpl-2.0
20,068
[ "Quantum ESPRESSO" ]
6e5284327526cd5e125e056e57f35a95ddaa7735bfdb16ff783fc5be26bc2c44
# Copyright (c) 2006-2013 Regents of the University of Minnesota. # For licensing terms, see the file LICENSE. import datetime import os import sys import time import conf import g from grax.user import User from item import item_user_access from item.attc import post from item.attc import thread from item.feat impo...
lbouma/Cyclopath
pyserver/item/util/watcher_composer.py
Python
apache-2.0
26,320
[ "VisIt" ]
2fd0876e3fd55f8cec30beadef2170610cbac44b81c37545e6aad436e3ef4d7d
class HelpMessage(): '''Carriers the help message that is available to all classes ''' help_message =""" You should use the following commands ONLY: \n\t 1. pomodoro create*<title> \n\t 2. pomodoro config_time*<day:hrs:min:sec> \n\t 3. pomodoro config_shortbreak*<hrs:min:...
Migwi-Ndungu/bc-9-Pomodoro-Timer
helpmessage.py
Python
mit
760
[ "VisIt" ]
e386e2e04936b436c194c2b32e80afd466018eb7fc5967d98d7ed75c76a14cc2
# -*- coding: utf-8 -*- """ End-to-end tests for the LMS. """ from datetime import datetime from flaky import flaky from textwrap import dedent from unittest import skip from nose.plugins.attrib import attr from bok_choy.promise import EmptyPromise from ..helpers import ( UniqueCourseTest, EventsTestMixin, ...
rismalrv/edx-platform
common/test/acceptance/tests/lms/test_lms.py
Python
agpl-3.0
46,640
[ "VisIt" ]
6b9cf55bc2a01b0ee927508aefc81da1485a5df5da7a9289eca65cefd1848fee
# -*- coding: utf-8 -*- ''' pyqz: a Python module to derive the ionization parameter and oxygen abundance of HII regions, by comparing their strong emission line ratios with MAPPINGS photoionization models.\n Copyright (C) 2014-2016, F.P.A. Vogt ----------------------------------------------------------------...
fpavogt/pyqz
pyqz/pyqz_plots.py
Python
gpl-3.0
24,483
[ "Gaussian" ]
1497f5c02b0b9e20985a42d8212284124e2e6b0b4ee439019a2dc565dd354fda
import numpy as np from ase import Atom, Atoms from ase.units import Hartree from gpaw.mpi import size from gpaw import GPAW from gpaw.response.bse import BSE GS = 1 bse = 1 casida = 1 compare = 1 if GS: d = 2.89 cluster = Atoms([Atom('Na', (0, 0, 0)), Atom('Na', (0, 0, d)), ...
ajylee/gpaw-rtxs
gpaw/test/bse_vs_lrtddft.py
Python
gpl-3.0
1,334
[ "ASE", "GPAW" ]
35fd762368672cd5b60eb812d91d96f9f850798368b93d5a970c35fffd9dadf1
# region gplv3preamble # The Medical Simulation Markup Language (MSML) - Simplifying the biomechanical modeling workflow # # MSML has been developed in the framework of 'SFB TRR 125 Cognition-Guided Surgery' # # If you use this software in academic work, please cite the paper: # S. Suwelack, M. Stoll, S. Schalck, N.Sch...
CognitionGuidedSurgery/msml
src/msml/exporter/sofanew.py
Python
gpl-3.0
37,859
[ "VTK" ]
1260dd984c7e61c21277a9b2114dfd5389e3d1e79fc20e9c8a04dedb79207b3f
"""Implementation of magic functions for interaction with the OS. Note: this module is named 'osm' instead of 'os' to avoid a collision with the builtin. """ from __future__ import print_function #----------------------------------------------------------------------------- # Copyright (c) 2012 The IPython Developmen...
alephu5/Soundbyte
environment/lib/python3.3/site-packages/IPython/core/magics/osm.py
Python
gpl-3.0
26,581
[ "VisIt" ]
42fc9ef0959ecce6b60cc6eaba8e88108a42763d96a10290f6cb90e4410e6f60
# -*- coding: utf-8 -*- # vim: autoindent shiftwidth=4 expandtab textwidth=120 tabstop=4 softtabstop=4 ############################################################################### # OpenLP - Open Source Lyrics Projection # # ------------------------------------------------------...
marmyshev/transitions
openlp/core/ui/advancedtab.py
Python
gpl-2.0
41,706
[ "Brian" ]
1bab28d439d093228a1cb22fd520db67ad0a18c9cad88dfda0a2ab91a887d86d
""" ROHF """ import numpy as np import scipy.linalg as slg from frankenstein.sgscf import rhf, sgopt from pyscf import scf from pyscf.lib import logger """ Methods for initialization """ def get_init_guess_DC(mf, dm0=None, mo_coeff0=None): if mo_coeff0 is None: raise ValueError("For ROHF, initial gues...
hongzhouye/frankenstein
sgscf/rohf.py
Python
bsd-3-clause
23,828
[ "MOE", "PyMOL", "PySCF" ]
8f87307d12bdf9f6a60d8c321c23fe3975aaf4d1b8549bbc116f2cd500208b9f
# -*- coding: utf-8 -*- # $Id: manpage.py 6378 2010-07-12 19:30:24Z grubert $ # Author: Engelbert Gruber <grubert@users.sourceforge.net> # Copyright: This module is put into the public domain. """ Simple man page writer for reStructuredText. Man pages (short for "manual pages") contain system documentation on unix-li...
MichaelNedzelsky/intellij-community
python/helpers/py2only/docutils/writers/manpage.py
Python
apache-2.0
33,845
[ "VisIt" ]
cb152b7c8aafeeeb99ab9f79a20a6864e60ea7cb9b3e3e510b43549b78e9ae61
# (c) 2014, Brian Coca <bcoca@ansible.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) any later version....
ramondelafuente/ansible
lib/ansible/plugins/filter/mathstuff.py
Python
gpl-3.0
3,968
[ "Brian" ]
239c34cb859ffe9d11ab15b8e590236e7e7b66a5c7553940aae37caade6ed55e
# # Copyright (C) 2010-2019 The ESPResSo project # Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010 # Max-Planck-Institute for Polymer Research, Theory Group # # 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...
psci2195/espresso-ffans
doc/tutorials/02-charged_system/scripts/nacl_units.py
Python
gpl-3.0
5,816
[ "ESPResSo" ]
1d7ac234b8898fda1e17c5b2f57cf4fc4616ee022b1613b8f066d930bf8f977f
# 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_pyx.py to generate the docstrings for the ufuncs in # scipy.special at the C level...
scipy/scipy
scipy/special/_add_newdocs.py
Python
bsd-3-clause
293,442
[ "Gaussian" ]
e3eaab9b3b7330cd6c8b4745bdfe41a548bcff4b4e85f5c2ae6e946c8bc30342
""" Basis Abstract Domain ===================== Interface of an abstract domain mapping variables to lattice elements. :Author: Caterina Urban """ from abc import ABCMeta from ast import literal_eval from copy import deepcopy from typing import Set, Dict, Type, Any, Union, List from lyra.abstract_domains.container.i...
caterinaurban/Lyra
src/lyra/abstract_domains/basis.py
Python
mpl-2.0
99,669
[ "VisIt" ]
3d0290cac1ef286798a457fa60d6bdac6755218d4f54c0900f751318562d098e
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2022 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
psi4/psi4
psi4/driver/procrouting/__init__.py
Python
lgpl-3.0
1,221
[ "Psi4" ]
6f3c52bcfadf4640c63bd2e74a97cb881fe104b3eb4b217951fc45ec054bf33b
#!/usr/bin/env python import sys import os.path from optparse import OptionParser from scipy.optimize import curve_fit from numpy import (exp, cos, pi, tri, argsort, asarray, arange, mean, isnan, zeros, square) from qiime.parse import parse_distmat __author__ = "Antonio Gonzalez Pena" __copyright_...
antgonza/qiime
qiime/plot_semivariogram.py
Python
gpl-2.0
5,408
[ "Gaussian" ]
934086cfec96f203a7dd02d8d57a91f897771963570fff533fde5e1471d83e90
""" Disclaimer ========== This software was developed at the National Institute of Standards and Technology at the NIST Center for Neutron Research by employees of the Federal Government in the course of their official duties. Pursuant to title 17 section 105* of the United States Code this software is not subject to ...
bmazin/ARCONS-pipeline
legacy/arcons_control/lib/mpfit.py
Python
gpl-2.0
78,881
[ "Gaussian" ]
89aaee7fd97f48fbfd4873d348b3b6100993d7200e634a7cd1d92cf8864b9cea
import os import csv import numpy from __main__ import vtk, qt, ctk, slicer from slicer.ScriptedLoadableModule import * from Utils.mixins import ModuleWidgetMixin # # NeedleGuideTemplate # class NeedleGuideTemplate(ScriptedLoadableModule): """Uses ScriptedLoadableModule base class, available at: https://github.co...
tokjun/NeedleGuideTemplate
NeedleGuideTemplate/NeedleGuideTemplate.py
Python
bsd-3-clause
22,110
[ "VTK" ]
701efe5630453518eb5748134704524b7163c5088d4be64f64e3fe7bfef8ec4d
from __future__ import (absolute_import, division, print_function) import unittest from mantid.simpleapi import logger import AbinsModules class AbinsLoadDMOL3Test(unittest.TestCase, AbinsModules.GeneralLoadDFTTester): def tearDown(self): AbinsModules.AbinsTestHelpers.remove_output_files(list_of_names=["...
dymkowsk/mantid
scripts/test/AbinsLoadDMOL3Test.py
Python
gpl-3.0
1,017
[ "DMol3" ]
d7d0d62b2b07520b8755554ffcf1063640030cc63778d0778d380fd3054f3a03
## Automatically adapted for numpy.oldnumeric Jun 27, 2008 by -c # # Copyright (C) 2001-2008 greg Landrum # """ unit testing code for the Stats module """ import unittest, sys from rdkit import RDConfig from rdkit.ML.Data import Stats import numpy FLOAT_TOL = 1e-4 def feq(x, y, tol=FLOAT_TOL): return abs(x - y...
jandom/rdkit
rdkit/ML/Data/UnitTestStats.py
Python
bsd-3-clause
5,754
[ "RDKit" ]
530ae513dfa86a5d63697c1908c1530b692ead198799a04742cc65915a69ce99
#!/usr/bin/env python """ filt.py Functions for quickly filtering time-series of data. Written by Brian Powell on 02/09/16 Copyright (c)2010--2021 University of Hawaii under the MIT-License. """ import numpy as np import seapy import scipy.signal def average_err(x, window=5): """ Generate a moving ...
powellb/seapy
seapy/filt.py
Python
mit
5,197
[ "Brian" ]
15abb98c505265e43f586cadb9fa4b8c9e637a817da67d41db7c428c3dae31a0
# Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. import unittest import warnings import requests from monty.os.path import which from pymatgen.ext.cod import COD website_is_up = requests.get("https://www.crystallography.net").status_code == 200 @unittest.skipIf(not we...
vorwerkc/pymatgen
pymatgen/ext/tests/test_cod.py
Python
mit
1,199
[ "pymatgen" ]
420fa7d2ebdef30f39257f774e12d149a95b12282296bb65f836d5d5d8211be2
#!/usr/bin/env python3 import os import unittest import logging import shutil import tempfile import ciftify.config from ciftify.utils import run import pytest from pytest import raises from unittest.mock import patch def get_test_data_path(): return os.path.join(os.path.dirname(os.path.dirname(__file__)), 'data')...
edickie/ciftify
tests/functional/test_ciftify_surface_rois.py
Python
mit
2,519
[ "Gaussian" ]
88229b442e7401421806a1829a4646c6e1ad10e099e4a1480f1238622422b439
from django.db import transaction from django.db.models.signals import post_save from django.dispatch import receiver from django.utils import timezone from edc_identifier.subject.classes import InfantIdentifier from edc_registration.models import RegisteredSubject from edc_appointment.models.appointment import Appoin...
botswana-harvard/microbiome
microbiome/apps/mb_maternal/models/signals.py
Python
gpl-2.0
13,693
[ "VisIt" ]
69f2c6dc53fad3a9fc329f6cfea311be940bf49fac23f56d3d101d66adce15db
# -*- coding: utf-8 -*- # Copyright 2022 Google LLC # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or...
googleapis/python-datacatalog
tests/unit/gapic/datacatalog_v1beta1/test_policy_tag_manager_serialization.py
Python
apache-2.0
61,491
[ "Octopus" ]
930cf643d0b0dbeac81179297673edd2b9f115691197125c7585935d824808b5
# Copyright 2015 Google Inc. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law or a...
ThomasYeoLab/CBIG
external_packages/python/yapf-master/yapf/yapflib/split_penalty.py
Python
mit
24,031
[ "VisIt" ]
d31584e80fe63b5310493a0b973ace203342b7dd7f7a44d81b58826c998ad4b4
# # Copyright (C) 2013,2014,2015,2016 The ESPResSo project # # This file is part of ESPResSo. # # ESPResSo is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at your option)...
tbereau/espresso
samples/python/lj_liquid_distribution.py
Python
gpl-3.0
7,570
[ "ESPResSo" ]
0a3939b723760d3af46671cb7364f7fa532a6b7c7ce8e708ae2cb7225532e57e
############################################################################### # Python Script to Combine Fasta or Qual Files Using BioPython ############################################################################### # Written by Mario Muscarella # Last Update 25 Apr 2013 # Directions: # use the following comma...
mmuscarella/StarvationTraits
bin/MergeSeqs.py
Python
gpl-3.0
750
[ "Biopython" ]
6febcf3f2c2ffee770aeb0f3dc7b5867e49781775a359134463a620b9ac59382
# # Copyright (C) 2008, Brian Tanner # #http://rl-glue-ext.googlecode.com/ # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless requ...
pclarke91/rl-glue-ext
projects/codecs/Python/src/tests/test_1_agent.py
Python
apache-2.0
1,831
[ "Brian" ]
31e7775917d1ead6368f41ffaf08b397115bb835133a798f0e131b231a99607c
import copy from SDWLE.cards.base import SpellCard, MinionCard from SDWLE.cards.minions.priest import ShadowOfNothing from SDWLE.cards.minions.neutral import Lightwarden from SDWLE.tags.base import BuffUntil, Buff from SDWLE.tags.event import TurnEnded from SDWLE.tags.status import Stolen, SpellDamage import SDWLE.tar...
jomyhuang/sdwle
SDWLE/cards_copy/spells/priest.py
Python
mit
11,872
[ "BLAST" ]
f892b6234f82a113b09ac06ca9146c8032f748b24e0f2a9bde16c1aa6548be6e
#### import the simple module from the paraview from paraview.simple import * #### disable automatic camera reset on 'Show' paraview.simple._DisableFirstRenderCameraReset() # create a new 'XML Unstructured Grid Reader' calc_test_node_statsvtu = XMLUnstructuredGridReader(FileName=['/raid/home/ksansom/caseFiles/mri/VWI_...
kayarre/Tools
vtk/paraview_case1_2.py
Python
bsd-2-clause
32,966
[ "ParaView" ]
551a0379cb11bb036e475025afd0e5d082812778f33fc3e800930972077117d2
""" Functions to operate on polynomials. """ from __future__ import division, absolute_import, print_function __all__ = ['poly', 'roots', 'polyint', 'polyder', 'polyadd', 'polysub', 'polymul', 'polydiv', 'polyval', 'poly1d', 'polyfit', 'RankWarning'] import re import warnings import numpy.core....
WillieMaddox/numpy
numpy/lib/polynomial.py
Python
bsd-3-clause
38,023
[ "Gaussian" ]
1d7c57091aebf2ab7b26d31c2925a41cf9e807f5e76937a1d6a56deea375accd
#!/usr/bin/python -u from argparse import Namespace from gmx_lib import run_setup, gro_and_top, box, water from gmx_lib import counterions, local_energy_minimum from gmx_lib import solvent_equilibration, production from gmx_lib import postproduction from gmx_lib.run_setup import WorkdirStructure from gmx_lib.gmx_engi...
ivanamihalek/smallmol
gmx01_core.py
Python
gpl-2.0
2,556
[ "Gromacs" ]
4e8a5db6558ec0b44f1f3e69194e524280587c5248bdf21c3ff4cd35d8f750af
# -*- coding: utf-8 -*- # # Copyright (C) Pootle contributors. # # This file is a part of the Pootle project. It is distributed under the GPL3 # or later license. See the LICENSE file for a copy of the license and the # AUTHORS file for copyright and authorship information. import locale from collections import Ordere...
pavels/pootle
pootle/apps/pootle_language/models.py
Python
gpl-3.0
7,470
[ "VisIt" ]
2c97920d59e87ec4925d6e088b6da7b5a83ed4dc37c365ea2854a67b190cd7d6
import os import platform from setuptools import find_packages from setuptools import setup import subprocess import sys requirements = [ "pycurl", "pyyaml == 3.10", "tornado >= 1.1, <2.0", ] # python-rrdtool doesn't install cleanly out of the box on OS X # TODO: python-rrdtool not compiling cleanly on l...
Yelp/firefly
setup.py
Python
isc
1,470
[ "Firefly" ]
e7803c8c531404064dd23e7e4d8e1735ac9612c8a02a00d0113837224925759b
#!/usr/bin/env python # Copyright 2014-2018 The PySCF Developers. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # U...
gkc1000/pyscf
pyscf/lib/gto/test/test_gridao.py
Python
apache-2.0
9,167
[ "PySCF" ]
507282388c97caf0f0296d840a4e3b495a8400f40f750e546a6c0b67d80bfc16
# -*- coding: utf-8 -*- """ ORCA Open Remote Control Application Copyright (C) 2013-2020 Carsten Thielepape Please contact me by : http://www.orca-remote.org/ This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as publi...
thica/ORCA-Remote
src/ORCA/widgets/Switch.py
Python
gpl-3.0
7,433
[ "ORCA" ]
e2960443769e6d2f82b8dff43b327cd18320e58abf5a44de4094dd5d9f15b0f8
import numpy as np from ..core import indexing from ..core.utils import Frozen, FrozenDict, close_on_error from ..core.variable import Variable from .common import ( BACKEND_ENTRYPOINTS, AbstractDataStore, BackendArray, BackendEntrypoint, _normalize_path, ) from .file_manager import CachingFileMana...
pydata/xarray
xarray/backends/pseudonetcdf_.py
Python
apache-2.0
4,555
[ "NetCDF" ]
47e581ec382bb78652d4722513bf057b4128019fa3df0f0e6e9b3b5d290e3524
from __future__ import print_function, division __all__ = ['load', 'clone', 'Compound', 'Particle'] import collections from collections import OrderedDict, defaultdict from copy import deepcopy import itertools import os import sys import tempfile from warnings import warn import mdtraj as md import numpy as np from...
tcmoore3/mbuild
mbuild/compound.py
Python
mit
75,385
[ "Amber", "LAMMPS", "MDTraj", "Open Babel", "OpenMM" ]
e67913215f5087e903206650c3d57a8633364abb832b7e1f48cea9038bebc3e5
# -*- coding: utf-8 -*- # # Copyright (c) 2016 Wil Clouser <clouserw@micropipes.com> # # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, including without limitation the ri...
qguv/config
weechat/plugins/python/emoji2alias.py
Python
gpl-3.0
41,578
[ "FLEUR", "Octopus" ]
a486bd0eb4e58bb198d3c25e6ebecc2918e3233670f1c9a38199f5e9733356e6
# # $Revision: 738 $ # $Date: 2009-02-12 23:32:12 +0100 (Thu, 12 Feb 2009) $ # $Author: brian@tannerpages.com $ # $HeadURL: http://rl-glue-ext.googlecode.com/svn/trunk/projects/codecs/Python/src/rlglue/versions.py $ def get_svn_codec_version(): SVN_GLUE_VERSION="$Revision: 738 $" justTheNumber=SVN_...
steckdenis/rlglue-py3
rlglue/versions.py
Python
apache-2.0
437
[ "Brian" ]
13f49c78fb6e903c659f1eca7eb07ef5a205fd2b941f572e7cf15f84b4b996f8
# Copyright 2019 Microsoft Corporation # # 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 wri...
Sutto/cloud-custodian
tools/c7n_azure/c7n_azure/constants.py
Python
apache-2.0
4,310
[ "ASE" ]
2d767fb5918dc02e3e644b71cbb30502cfaf10a4e614f5e8039ed0c379dc2ed4
# -*- coding: utf-8 -*- # Copyright (c) 2015-2018, Exa Analytics Development Team # Distributed under the terms of the Apache License 2.0 """Tests for computing the overlap.""" import numpy as np from unittest import TestCase from exatomic.base import resource from exatomic.core.basis import Overlap from exatomic.molca...
avmarchenko/exatomic
exatomic/algorithms/tests/test_overlap.py
Python
apache-2.0
1,387
[ "MOLCAS" ]
e9a7906a1b6e98fd06e7a6daa26f180a972e5cfad24e6f53521fa3cd54306016
## ## Biskit, a toolkit for the manipulation of macromolecular structures ## Copyright (C) 2004-2018 Raik Gruenberg ## ## 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 3 of the ...
graik/biskit
biskit/atomCharger.py
Python
gpl-3.0
9,449
[ "Amber" ]
228cfa3baef3589fdd77f149ac6a4de90e837a2d67595cf5c17645457ce255c9
"""Handle running, parsing and manipulating metrics available through Picard. """ import contextlib import glob import json import os import subprocess from bcbio.utils import tmpfile, file_exists from bcbio.distributed.transaction import file_transaction from bcbio.broad.picardrun import picard_rnaseq_metrics import...
brainstorm/bcbio-nextgen
bcbio/broad/metrics.py
Python
mit
21,507
[ "pysam" ]
68669bac4563fdb68a7d6a9c95c65042dc7792b4374b93e7aaa654e616698082
""" ============================= Noise estimation using PIESNO ============================= Often, one is interested in estimating the noise in the diffusion signal. One of the methods to do this is the Probabilistic Identification and Estimation of Noise (PIESNO) framework [Koay2009]_. Using this method, one can de...
jyeatman/dipy
doc/examples/piesno.py
Python
bsd-3-clause
3,970
[ "Gaussian" ]
e3242ead3e0d7c999171a83a5f218bcf9a6434a8539a55b279a7e78ef292ffad
# Copyright 2013-2020 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 * import os import glob from shutil import copyfile, Error class NetcdfFortran(AutotoolsPackage): ...
iulian787/spack
var/spack/repos/builtin/packages/netcdf-fortran/package.py
Python
lgpl-2.1
7,222
[ "NetCDF" ]
e200e9c6aabd183b6a2cd287034982b60b88f5d22cfeba2e5f3f3337278a2189
# # Copyright (C) 2010-2019 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 option) any later...
fweik/espresso
doc/tutorials/active_matter/exercises/enhanced_diffusion.py
Python
gpl-3.0
4,152
[ "ESPResSo" ]
121b588022b2e7a1bef527c7a9be49ca6fc7a5fc9133437e3bfeab24cdc9d664
from django.db import models from django.db.models.deletion import PROTECT from edc_base.model_mixins import BaseUuidModel from edc_base.utils import get_utcnow from edc_identifier.model_mixins import NonUniqueSubjectIdentifierFieldMixin from ..models import RequisitionIdentifierMixin, RequisitionModelMixin from ..mod...
botswana-harvard/edc-lab
edc_lab/tests/models.py
Python
gpl-2.0
922
[ "VisIt" ]
60d3f05afa0d00b29861ca43075e3433e417c910d60aa975fcd2a50b0b0ba2c2
import numpy as np from dipy.align.metrics import CCMetric, EMMetric, SSDMetric from dipy.align.imwarp import SymmetricDiffeomorphicRegistration from dipy.align.imaffine import (transform_centers_of_mass, AffineMap, MutualInformationMetric, ...
arokem/AFQ-notebooks
tools.py
Python
mit
6,112
[ "Gaussian" ]
2f50f77125a39f8dabffe83d5b0dfd4fcc228ce9cda0a8435c71faf09cd370a8
# Copyright 2002 by Katharine Lindner. 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. """handles true random numbers supplied from the web server of fourmilab. Based on atmo...
poojavade/Genomics_Docker
Dockerfiles/gedlab-khmer-filter-abund/pymodules/python2.7/lib/python/Bio/HotRand.py
Python
apache-2.0
2,539
[ "Biopython" ]
53a034d79cda0036709d2b250b88b316eac97df0040ac4fe01bca1ba1d648d63
# -*- coding: utf-8 -*- # Copyright (c) 2015-2022, Exa Analytics Development Team # Distributed under the terms of the Apache License 2.0 """ Molcas Output Parser ##################### Multiple frames are not currently supported """ from __future__ import absolute_import from __future__ import print_function from __fut...
exa-analytics/exatomic
exatomic/molcas/output.py
Python
apache-2.0
24,368
[ "Gaussian", "MOLCAS" ]
de96d527d17d7c036e439d2e899532c2b07d2db9f205c3a01c15b6b98964981b
import numpy as np import scipy import scipy.optimize as opt import scipy.ndimage as ndimage import scipy.ndimage.filters as filters import matplotlib.pyplot as plt import glob, os, sys, fnmatch from astropy.io import fits as pyfits from astropy.io import ascii #define model Gaussian function and pass independent var...
kkozarev/mwacme
src/find_local_maxima_multi_integrated_subset.py
Python
gpl-2.0
8,760
[ "Gaussian" ]
834e965a7da3088d2bfb9db25625c2206bb2182ad0df0fdf5f0875b72582189e
# ---------------------------------------------------------------------------- # Copyright (c) 2016-2021, QIIME 2 development team. # # Distributed under the terms of the Modified BSD License. # # The full license is in the file LICENSE, distributed with this software. # ------------------------------------------------...
jakereps/qiime2
qiime2/core/type/tests/test_grammar.py
Python
bsd-3-clause
23,607
[ "scikit-bio" ]
e76fc820c13d6d50a66814770a75f1e4b3fc2f2235cf08f3df3f2cd78279f413
#! /usr/bin/python # encoding: -*- utf-8 -*- # sale_panel.py # This file is part of miniPOS. # miniPOS 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 # (...
nitheeshkl/miniPOS
mpos/pnl_sales.py
Python
gpl-3.0
35,483
[ "VisIt" ]
bd6aa84c48df30ada577e3f5944d58791fa13d8fe78e954828faa30d19126ca1
#!/usr/bin/env python # Various functions for tmi_viewer # Copyright (C) 2016 Tristram Lett # 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 3 of the License, or ...
trislett/tmi_viewer
tmi_viewer/tv_func.py
Python
gpl-3.0
20,600
[ "Mayavi", "Octopus" ]
6d519d9d6342d279f41b31a693616759f07a28b6c999509f0e33a8e6c4dce9fe
""" DIRAC.DataManagementSystem.DB test package """
marcelovilaca/DIRAC
DataManagementSystem/DB/test/__init__.py
Python
gpl-3.0
54
[ "DIRAC" ]
841ecd4e3e94178aa5f818228cf74e9421aa4c6db86708ed69b224740aabb03c
"""Tool for sorting imports alphabetically, and automatically separated into sections.""" import argparse import functools import json import os import sys from gettext import gettext as _ from io import TextIOWrapper from pathlib import Path from typing import Any, Dict, List, Optional, Sequence, Union from warnings i...
PyCQA/isort
isort/main.py
Python
mit
46,574
[ "VisIt" ]
c011dcb020e2ab048f0ccd609d7e7fd00e7bccceb267d7b7627f488ea5cca8d3
#!/bin/env python import numpy, sys, vtk, wx from PyQt4 import QtCore, QtGui from vtk.qt4.QVTKRenderWindowInteractor import QVTKRenderWindowInteractor from vtk.volumerendering import * try: from transfer_function import TransferFunctionWidget except ImportError: print 'You need to get the TransferFunction from: "...
chapering/PyVolRender
imgVolRender_GPU.py
Python
gpl-2.0
7,766
[ "VTK" ]
c7bcd0ca4095c36687145fdf5fb53bf0ed82007e91ab5f50a029305e164eb7d3
import jsonpickle import requests from colorker.core import Query GALILEO_SERVICE_HOST = 'http://tomcat.columbus.cs.colostate.edu/galileo-web-service' polygons = [[{"lat": "40.597792003905454", "lon": "-104.77729797363281"}, {"lat": "40.43545015171254", "lon": "-104.77729797363281"}, {"lat":...
jkachika/columbus
pyedf/tests.py
Python
mit
14,815
[ "COLUMBUS" ]
a335722a8d41151fb5e3b47e7db3e6b7f2f48f005066a524d6b696cd12dd2b5a
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkImageIdealLowPass(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, ...
nagyistoce/devide
modules/vtk_basic/vtkImageIdealLowPass.py
Python
bsd-3-clause
497
[ "VTK" ]
d1f15ab0bc0d67c14e07517f3f165724833b6f3378a5b31105a20cf9d6e42545
#!/usr/bin/env python # encoding: utf-8 # Thomas Nagy, 2010-2018 (ita) """ Classes and functions enabling the command system """ import os, re, imp, sys from waflib import Utils, Errors, Logs import waflib.Node # the following 3 constants are updated on each new release (do not touch) HEXVERSION=0x2000f00 """Constan...
drobilla/pugl
waflib/Context.py
Python
isc
21,029
[ "VisIt" ]
40af4ebe0bed4159a9ab6e3cbd7bc672f78cc27ed28af8ae723ba1561b67b436
#!/usr/bin/env python #encoding:utf8 #==================================================== # FILE: img2sdat.py # AUTHORS: xpirt - luxi78 - howellzhu # DATE: 2015-10-11 14:37:22 CST #==================================================== import sys, blockimgdiff, sparse_img, os def main(sysimg, o...
FlymeOS/tools
reverses/de-dat/img2sdat.py
Python
apache-2.0
1,296
[ "VisIt" ]
6c2d25ab128026618fab47807f59b8ac667f83348034d49c4de964d38792dcfc
import numpy as np from astropy.modeling import models, fitting __all__ = ["sinc_square_model", "sinc_square_deriv", "fit_sinc", "fit_gaussian", "SincSquareModel"] def sinc(x): """ Calculate a sinc function. sinc(x)=sin(x)/x Parameters ---------- x : array-like Returns ...
StingraySoftware/stingray
stingray/pulse/modeling.py
Python
mit
5,000
[ "Gaussian" ]
50e1d5205a43bdcd3e3733d80cf2e1a336c0dd4e7b50be6e5a7b5b6056f5fa80
######################################################################### ## rdesigneur0_4.py --- ## This program is part of 'MOOSE', the ## Messaging Object Oriented Simulation Environment. ## Copyright (C) 2014 Upinder S. Bhalla. and NCBS ## It is made available under the terms of the ## GNU General Public ...
subhacom/moose-core
python/rdesigneur/rmoogli.py
Python
gpl-3.0
6,261
[ "MOOSE" ]
b6bdd51671da4797cf88d13f6bd86df78323a0bac44c3fc85e88fded9a8062e9
# Copyright (C) 2006-2011 Canonical Ltd # # 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 program is distribute...
stewartsmith/bzr
bzrlib/knit.py
Python
gpl-2.0
146,948
[ "VisIt" ]
c24a86121555ad35e20becfbaed9b30260b964007244aac28a3c1ce28d8b640a
import hashlib import datetime from tornado import web, gen from RESTDIRAC.RESTSystem.Base.RESTHandler import WErr, WOK, TmpDir, RESTHandler from DIRAC.WorkloadManagementSystem.Client.SandboxStoreClient import SandboxStoreClient from DIRAC.Core.DISET.RPCClient import RPCClient from DIRAC.Core.Utilities.JDL import load...
DIRACGrid/RESTDIRAC
RESTSystem/API/Job/JobStuffHandler.py
Python
gpl-3.0
2,830
[ "DIRAC" ]
024655faee0924e26f3a2c89666a7a52962a7903feb2cd2606b98553fdb2e302
""" ======================================= Signal processing (:mod:`scipy.signal`) ======================================= Convolution =========== .. autosummary:: :toctree: generated/ convolve -- N-dimensional convolution. correlate -- N-dimensional correlation. fftconvolve --...
matthewalbani/scipy
scipy/signal/__init__.py
Python
bsd-3-clause
12,578
[ "Gaussian" ]
5ac81b8a1ef375a25ad0a5c2028bc7b8d413a98fad84c2ac33082e989a956184
# ****************************************************************************** # Copyright 2017-2018 Intel Corporation # # 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.apa...
NervanaSystems/neon
tests/test_dilated_conv.py
Python
apache-2.0
6,039
[ "Gaussian" ]
b756c2fa4166c11ac2e12cef0766e395e50070dc98f2df028f8498ee3599511b
# -*- coding: utf-8 -*- """ Master Dictionary Translations 0: English 1: Chinese 2: Dutch 3: French 4: Italian 5: Japanese 6: Korean 7: Portuguese 8: Russian 9: Spanish """ class MD_F: # Master Dictionary Functions def get_languages_list(): languages = [] languages.append("English") ...
mdmintz/SeleniumBase
seleniumbase/translate/master_dict.py
Python
mit
99,028
[ "VisIt" ]
b76dcb7328e53d36fd74ec4c16a79347ff86ccbe2a0874d1ca25284fd4600bba
# -*- coding:utf-8 -*- """ Utilities not related to neuronal network simulation. """ from numpy import linspace from os import path, listdir from importlib import import_module import itertools def path_to_modline(filepath): """Returns a string representation for module import of a file.""" # Import the set ...
neuro-lyon/multiglom-model
src/utils.py
Python
mit
7,140
[ "Brian" ]
e1534bbbf6c7f27a5b01e350d88605947348e2929d2b92e11ecebd6afe4c252c
#!/usr/bin/env python3 """ If you have a large FASTA file with a great number of entries, this script is used to split the file into multiple new files with an even number of records (or as close as possible.) Use case example: I have a reference genome collection with 2000 genomes and want to search this using bowt...
jorvis/biocode
fasta/split_fasta_into_even_files.py
Python
mit
3,580
[ "Bowtie" ]
94c9732050aeb3fc1b2e36c16f2ee3dec72249d9fbe9a59e93813b4c6f892a06
import os from setuptools import setup setup( name = "prometheus_client", version = "0.0.13", author = "Brian Brazil", author_email = "brian.brazil@robustperception.io", description = ("Python client for the Prometheus monitoring system."), long_description = ("See https://github.com/prometheus...
thomaso-mirodin/client_python
setup.py
Python
apache-2.0
1,046
[ "Brian" ]
61b8ecfc70bbc09a94594b1bd23bd9136705697e97a454da127ed585fc887c79
#./parallel_manager.sh ./create_skysub_delink_para.sh ${SUBARUDIR}/${cluster}/${filter} SCIENCE ${ending} ".sub" TWOPASS global tmpdir import os #os.system('mkdir -p ' + tmpdir) astrom = 'solve-field' import traceback, tempfile def fix_table(): import MySQLdb, sys, os, re, time, utilities, pyfits ...
deapplegate/wtgpipeline
non_essentials/calc_test/calc_test_save.6.25.py
Python
mit
315,503
[ "Galaxy" ]
41655fc0c78cd421927dc23b2e5a18eee0d325fd4d1429ee2afbdd2328d367ef
############################################################################### # ilastik: interactive learning and segmentation toolkit # # Copyright (C) 2011-2014, the ilastik developers # <team@ilastik.org> # # This program is free software; you can redistribute it and/or # mod...
ilastikdev/ilastik
ilastik/applets/counting/countingGui.py
Python
gpl-3.0
69,303
[ "Gaussian" ]
addbd14743b7d49dcd474f5c6d30dc13230726551132524e875a8cc9267449a7
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2018 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
amjames/psi4
psi4/share/psi4/databases/S22.py
Python
lgpl-3.0
43,408
[ "Psi4" ]
e7d0c48d60ba5b55b6c31b0c2c5892b0013348f8f8793d10af36b8ba082c5d00
# Player: A player in this game. Every AI controls one player. # DO NOT MODIFY THIS FILE # Never try to directly create an instance of this class, or modify its member variables. # Instead, you should only be reading its variables and calling its functions. from typing import List from games.saloon.game_object import...
JacobFischer/Joueur.py
games/saloon/player.py
Python
mit
4,027
[ "SIESTA" ]
85d4430b4991e758f065cb42e6f33ef8aaa0e2d73d7780ea24e6d97d4d5446cc
#!/usr/bin/env python # Filename: util.py ''' util @author: Andrew Philpot @version 0.79 collection of misc utils Usage: python util.py Options: \t-h, --help:\tprint help to STDOUT and quit \t-v, --verbose:\tverbose output ''' import sys import inspect import types import getopt import fileinput import tempfile impo...
usc-isi-i2/dig-prep
python/dig/pymod/util.py
Python
apache-2.0
55,059
[ "VisIt" ]
e6280b76ba4690ca908fd5f8d3aa929311d833aa985a78f090f7307e08c84ee7
# Copyright 2005-2014 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 # Author(s): Nicholas Carpaski (carpaski@gentoo.org), Brian Harring (ferringb@gentoo.org) from __future__ import unicode_literals __all__ = ["cache"] import stat import sys import operator import warnings from ...
nullishzero/Portage
pym/portage/eclass_cache.py
Python
gpl-2.0
5,664
[ "Brian" ]
ee09a520d2304e3c839735fc6f30d3fa8411c82892edbeb8176fc8b0e9873845
#!/usr/bin/env python from __future__ import unicode_literals, print_function import os from discogs_client.exceptions import HTTPError from six.moves import input import discogs_client as dc USER_AGENT = "discogstagger +http://github.com/jesseward" class DiscogsWrapper(object): ''' Returns an OAuth authentic...
jesseward/discogstagger
discogstagger/discogswrapper.py
Python
mit
2,977
[ "VisIt" ]
ce7a393a3665884599b405032ad485673557dc56f1a0c6b8f744c92f0e02fa17
import ast import operator from fractions import Fraction from artiq.transforms.tools import * from artiq.language.core import int64, round64 _ast_unops = { ast.Invert: operator.inv, ast.Not: operator.not_, ast.UAdd: operator.pos, ast.USub: operator.neg } _ast_binops = { ast.Add: operator.add, ...
kgilmo/penning_artiq
artiq/transforms/fold_constants.py
Python
gpl-3.0
4,462
[ "VisIt" ]
13613b3276dcb974ab1c54a34cd56cd1e9d4a4ce3efbca14b56d6baf3bf0a313
import numpy as np import pychemia import itertools import scipy.spatial from scipy.spatial import qhull from pychemia.utils.periodic import covalent_radius # return [x, y, d], that ax + by = d, d = gcd(a, b) def ext_gcd(a, b): v1 = [1, 0, a] v2 = [0, 1, b] if a > b: a, b = b, a while v1[2] ...
MaterialsDiscovery/PyChemia
pychemia/analysis/surface.py
Python
mit
14,660
[ "CRYSTAL" ]
4f13bd40885b02e615da10e972d900fb6eb3e8c708f064d8b600bf5693623ace
""" font data tables for truetype and afm computer modern fonts """ from __future__ import (absolute_import, division, print_function, unicode_literals) import six latex_to_bakoma = { '\\__sqrt__' : ('cmex10', 0x70), '\\bigcap' : ('cmex10', 0x5c), ...
unnikrishnankgs/va
venv/lib/python3.5/site-packages/matplotlib/_mathtext_data.py
Python
bsd-2-clause
89,645
[ "Bowtie" ]
72df117ff68dbdec7f52c7c1ce0193ecf1415b13412caea87e8b11f8727a0508
# Copyright (C) 2015 # Jakub Krajniak (jkrajniak at gmail.com) # Copyright (C) 2012,2013 # Max Planck Institute for Polymer Research # Copyright (C) 2008,2009,2010,2011 # Max-Planck-Institute for Polymer Research & Fraunhofer SCAI # # This file is part of ESPResSo++. # # ESPResSo++ is free softw...
capoe/espressopp.soap
src/tools/convert/topology_helper.py
Python
gpl-3.0
12,248
[ "ESPResSo", "Gromacs" ]
84e19c6eda35754a06c8ff56e329d05960c25effdb7b53f2ae7a2ccc33b96c3d
import unittest import warnings import numpy as np from boldsim import sim class TestHelpers(unittest.TestCase): """Unit tests for sim helper functions""" def test_handle_nscan_returns_ints(self): """Test _handle_nscan returns int with int or float input""" self.assertEqual(10, sim._handle_ns...
adamatus/boldsim
tests/test_sim.py
Python
gpl-2.0
49,245
[ "Gaussian" ]
054193f497451648e2dd25adc8577517f3053d8bedf87cbb993b3de8ee3978bd
# -*- coding: utf-8 -*- # Copyright (C) 2004-2016 by # Aric Hagberg <hagberg@lanl.gov> # Dan Schult <dschult@colgate.edu> # Pieter Swart <swart@lanl.gov> # All rights reserved. # BSD license. # # Authors: Aric Hagberg <hagberg@lanl.gov> # Loïc Séguin-C. <loicseguin@gmail.com> # Da...
goulu/networkx
networkx/algorithms/shortest_paths/weighted.py
Python
bsd-3-clause
63,355
[ "VisIt" ]
2759b1e24007b1a173520f1f5c32a3546e9a1e2d834cf1dc4a81fc51aff32b2d
#------------------------------------------------------------------------------- # # Define classes for (uni/multi)-variate kernel density estimation. # # Currently, only Gaussian kernels are implemented. # # Written by: Robert Kern # # Date: 2004-08-09 # # Modified: 2005-02-10 by Robert Kern. # Contr...
teoliphant/scipy
scipy/stats/kde.py
Python
bsd-3-clause
17,245
[ "Gaussian" ]
7b552e1a30858377bcd5c5745ce2971ce1fbb5077074fa00ccd11854c2de77b1
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2021 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This file is part of Psi4. # # Psi4 is free software; you can redistribute it and/or modify #...
jturney/psi4
psi4/driver/gaussian_n.py
Python
lgpl-3.0
7,116
[ "Gaussian", "Psi4" ]
0181f11f7f496f06bf356583b700070fe1b5ab163670373a0421b4b7275a26e4
#!/usr/bin/env python3 # -*- coding: utf-8 -*- # Copyright (c) 2014,2015,2016,2017 Jeremie DECOCK (http://www.jdhp.org) # Permission is hereby granted, free of charge, to any person obtaining a copy # of this software and associated documentation files (the "Software"), to deal # in the Software without restriction, ...
jeremiedecock/pyai
ailib/optimize/minimizers/cutting_plane.py
Python
mit
40,577
[ "Gaussian" ]
3e2925543de304611fa4cb7cc12f786110d4d46f0ec14181ca5f942338739b3b
#!/usr/bin/python # # This source file is part of appleseed. # Visit https://appleseedhq.net/ for additional information and resources. # # This software is released under the MIT license. # # Copyright (c) 2012-2013 Jonathan Topf, Jupiter Jazz Limited # Copyright (c) 2014-2018 Jonathan Topf, The appleseedhq Organizat...
luisbarrancos/appleseed
scripts/rendernode.py
Python
mit
18,139
[ "VisIt" ]
332fc2237e1fa163d4c4d3f9b99677fe10527a062ef62916db4c3817fe5bc810
######################################################### # #EntropyCalculator calculates the entropy value for a SNP or pair of SNPs #by using the phylogenetic tree to calculate the probabilities of each value #(A, T, C, G, AA, AT, ect.), using the methods demonstrated in: #http://www.ncbi.nlm.nih.gov/pmc/articles/PMC...
rsb93/Capstone
EntropyCalculator.py
Python
gpl-2.0
9,160
[ "VisIt" ]
b324d4e9cc9f7ef37e32052ca808de4c97a505959ad99654b841d841c2e90f90
# -*- coding: utf-8 -*- # vi:si:et:sw=4:sts=4:ts=4 ## ## Copyright (C) 2014 Async Open Source <http://www.async.com.br> ## All rights reserved ## ## This program is free software; you can redistribute it and/or modify ## it under the terms of the GNU General Public License as published by ## the Free Software Foundati...
andrebellafronte/stoq
stoqlib/lib/test/test_fileutils.py
Python
gpl-2.0
1,888
[ "VisIt" ]
0e9ed9a88ac269731607b69e8482daf3cedbfe04f7635799a4a0c7ab54c41b2f
"""Quality control and summary metrics for next-gen alignments and analysis. """ import collections import contextlib import csv import os import shutil import subprocess import pandas as pd import lxml.html import yaml from datetime import datetime # allow graceful during upgrades try: import matplotlib matpl...
hjanime/bcbio-nextgen
bcbio/pipeline/qcsummary.py
Python
mit
44,083
[ "pysam" ]
1277b104dbc23487daeae99eefb9a15b0033f04cb08784d16085213f33b87a10