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# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding: utf-8 -*- # vim: tabstop=4 expandtab shiftwidth=4 softtabstop=4 # # MDAnalysis --- https://www.mdanalysis.org # Copyright (c) 2006-2017 The MDAnalysis Development Team and contributors # (see the file AUTHORS for the full list of names) # # Released under ...
MDAnalysis/mdanalysis
package/MDAnalysis/topology/tpr/utils.py
Python
gpl-2.0
30,764
[ "Gromacs", "MDAnalysis" ]
ca425389921382d103d87fcb7173f96c6b657f6103674812d1ca454a1206840f
from .base import SOLAR, EARTH, WATER, FIRE, AIR, LUNAR, Spell from .. import effects from .. import targetarea from .. import enchantments from .. import animobs from .. import stats from .. import context from .. import invocations # Druids get EARTH, FIRE, and SOLAR magic. These spells use a combination of # those ...
jwvhewitt/dmeternal
old_game/spells/druidspells.py
Python
gpl-2.0
7,526
[ "BLAST" ]
633305f7b59f6a109e4a084c4077124276c56ad627f14a767d26e41896d614a1
# (C) British Crown Copyright 2013 - 2017, Met Office # # This file is part of Iris. # # Iris is free software: you can redistribute it and/or modify it under # the terms of the GNU Lesser General Public License as published by the # Free Software Foundation, either version 3 of the License, or # (at your option) any l...
QuLogic/iris
lib/iris/tests/integration/test_regridding.py
Python
gpl-3.0
4,199
[ "NetCDF" ]
3e193f69bb87e03bb83addf1658f92f29e9309dc342d9b747a14cc3c4f853799
from django.db import models from django.utils import timezone from django.utils.encoding import python_2_unicode_compatible from django.contrib.auth.models import User from django.contrib.postgres.fields import ArrayField from django.db.models import Count # @python_2_unicode_compatible # class User(models.Model): # ...
bounswe/bounswe2016group11
cocomapapp/models.py
Python
apache-2.0
5,362
[ "VisIt" ]
d2e73f92363c0d455d20038e97bf73ba5c80100d779f9440501b18f0328069e3
# -*- coding: utf-8 -*- # admin.py # Import the admin site reference from django.contrib.admin from constance import config from django.conf import settings from django.contrib import admin from django.contrib.admin import SimpleListFilter from django.contrib.auth.admin import UserAdmin from django.db.models import Q...
auto-mat/zelenamapa
apps/mapa/admin.py
Python
gpl-3.0
9,586
[ "VisIt" ]
4e768a19ce1e58c4fac620672ff9af99e1a93a979f5f3abd0ddf3295c1186743
import os import torch from torch.autograd import Variable from torch import optim import torch.nn.functional as F import torch.nn as nn import argparse import models import math parser = argparse.ArgumentParser(description='sample.py') parser.add_argument('-init', default='The meaning of life is ', ...
guillitte/pytorch-sentiment-neuron
visualize.py
Python
mit
4,560
[ "NEURON" ]
203dbdb8ee42b61c5fbd1040c9fadfa5b8cc2639e4f0ca480be5a9e26291c648
from __future__ import print_function import random import pickle import os import numpy as np import matplotlib.pyplot as plt from sklearn.model_selection import train_test_split from scipy.stats import norm from keras.layers import Input, Dense, Conv2D, Conv2DTranspose, MaxPooling2D, UpSampling2D, Cropping2D, Lambd...
Bleyddyn/malpi
train/autoencoder.py
Python
mit
12,035
[ "Gaussian" ]
ca9a4a4a58f55cf7a1cda506aa9e9871fbf7b35395fc737e6ec44fba62e39b8a
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. """This module provides functions and classes related to Task objects.""" from __future__ import division, print_function, unicode_literals, absolute_import import os import time import datetime import shutil i...
migueldiascosta/pymatgen
pymatgen/io/abinit/tasks.py
Python
mit
146,128
[ "ABINIT", "NetCDF", "pymatgen" ]
34a91b01a1b812a649bba627b93e669174d95f6c43880e0b11eb6fc53f20686e
# -*- 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/utils/Platform/generic/generic_Ping.py
Python
gpl-3.0
1,457
[ "ORCA" ]
03f3d217213f7df49109be49cec12c62e8e78da1635d64e076bded3e4d6c5ddd
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.conf import settings from django.conf.urls import include, url from django.conf.urls.static import static from django.contrib import admin from django.views.generic import TemplateView from django.views import defaults as default_views urlpat...
Guin-/bookswap
config/urls.py
Python
mit
1,547
[ "VisIt" ]
f35fb9c7abba4e0fafd6c40892a59ff9f68b49aad4a934b20bba63aaa3025227
#!/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/pyhit/tests/test_examples.py
Python
lgpl-2.1
1,293
[ "MOOSE" ]
449abe276f92936d6b475b2364af604108ca5474745f66981560c5e16c43065f
#!/usr/bin/env python # -*- coding: utf-8 -*- ############################################################################### # Copyright 2016 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 cop...
Kitware/HPCCloud
server/taskflows/hpccloud/taskflow/paraview/pv_flow.py
Python
apache-2.0
12,952
[ "ParaView" ]
6354f1d986aaf5fc52d3da0a7c589b9f3577f6a2f38d7da6cad53798a3d06dc5
#!/usr/bin/env python ## ## See COPYING file distributed along with the ncanda-data-integration package ## for the copyright and license terms ## """ ================== REDCap Form Locker ================== Provides a CLI to lock and unlock REDCap forms. Example Usage: python redcap_form_locker.py --project ncand...
nicholsn/ncanda-data-integration
scripts/redcap/redcap_form_locker.py
Python
bsd-3-clause
11,751
[ "VisIt" ]
2560fc864bc7670c80d1f9eafb1de83cd6d94c626984b0c8d1c4c666a4cd4fda
# # ast_nestml_compilation_unit.py # # This file is part of NEST. # # Copyright (C) 2004 The NEST Initiative # # NEST 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 y...
kperun/nestml
pynestml/meta_model/ast_nestml_compilation_unit.py
Python
gpl-2.0
3,737
[ "NEURON" ]
3a9ac7a3d6524b76b03c1ffd5a237b8bb16c7cadbbb3a330cc11c7dc2ad0a759
'''Various extensions to distributions * skew normal and skew t distribution by Azzalini, A. & Capitanio, A. * Gram-Charlier expansion distribution (using 4 moments), * distributions based on non-linear transformation - Transf_gen - ExpTransf_gen, LogTransf_gen - TransfTwo_gen (defines as examples: square, n...
yarikoptic/pystatsmodels
statsmodels/sandbox/distributions/extras.py
Python
bsd-3-clause
42,387
[ "Gaussian" ]
ba0d3f8e9ce914e2f3b2c146761eb15650e5e0255b030880787c52fc68dd985e
#!/usr/bin/python # -*- coding: utf-8 -*- # # --- BEGIN_HEADER --- # # mrslkeywords - Mapping of available mRSL keywords and specs # Copyright (C) 2003-2009 The MiG Project lead by Brian Vinter # # This file is part of MiG. # # MiG is free software: you can redistribute it and/or modify # it under the terms of the GNU...
heromod/migrid
mig/shared/mrslkeywords.py
Python
gpl-2.0
16,896
[ "Brian", "Dalton" ]
37243104aecc780bb4be870f58ccb34ebc253023dbab28c965b176f79880cfab
# -*- coding: utf-8 -*- from __future__ import unicode_literals from django.db import models, migrations class Migration(migrations.Migration): dependencies = [ ('visit', '0096_auto_20150903_1352'), ] operations = [ migrations.AlterField( model_name='school', nam...
koebbe/homeworks
visit/migrations/0097_auto_20150921_1347.py
Python
mit
456
[ "VisIt" ]
21c6b9ad7c8c5ab5024a2360e4e628b69ece3cd06c5bd3ae147cc821fadecb93
# Copyright 2010-2017, The University of Melbourne # Copyright 2010-2017, Brian May # # This file is part of Karaage. # # Karaage 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...
brianmay/karaage
karaage/common/simple.py
Python
gpl-3.0
3,043
[ "Brian" ]
b542eb18f3178f45530cfbb7247339fc61792e27fbd7ff12c0b41ae4d0eefae2
# emacs: -*- mode: python; py-indent-offset: 4; indent-tabs-mode: nil -*- # vi: set ft=python sts=4 ts=4 sw=4 et: """The fsl module provides classes for interfacing with the `FSL <http://www.fmrib.ox.ac.uk/fsl/index.html>`_ command line tools. This was written to work with FSL version 4.1.4. Change directory to p...
wanderine/nipype
nipype/interfaces/fsl/preprocess.py
Python
bsd-3-clause
75,800
[ "Gaussian", "VTK" ]
8b57b748bd8a29237076571b41f3198e4a38cb29f28c4a8fffa2045f71414871
from __future__ import print_function import time import numpy as np from ase.atom import Atom from ase.atoms import Atoms from ase.calculators.lammpsrun import prism from ase.calculators.neighborlist import NeighborList from ase.data import atomic_masses, chemical_symbols from ase.io.lammpsrun import read_lammps_dump...
suttond/MODOI
ase/io/opls.py
Python
lgpl-3.0
26,776
[ "ASE", "LAMMPS" ]
7740a091bd23623b396a7607e1ab49f2866f9547e5c335b6e2945b1f644dd468
# -*- coding: utf-8 -*- import sys import unittest from brew.constants import GRAIN_TYPE_CEREAL from brew.constants import GRAIN_TYPE_LME from brew.constants import HOP_TYPE_PELLET from brew.constants import HOP_TYPE_WHOLE from brew.constants import IMPERIAL_UNITS from brew.constants import SI_UNITS from brew.exceptio...
chrisgilmerproj/brewday
tests/test_recipes.py
Python
mit
9,459
[ "CRYSTAL" ]
5b63e4781cef43586e61a6edbd3228e9e37281cd9c53211c5311382cc4873d7f
# -*- coding: utf-8 -*- """QGIS Unit tests for QgsRasterFileWriter. .. note:: 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. "...
CS-SI/QGIS
tests/src/python/test_qgsrasterfilewriter.py
Python
gpl-2.0
7,460
[ "NetCDF" ]
e193fb045722e5c288781bab8f3b85fda0a3309a2f1f3369e581dbd34e2bf36e
# force floating point division. Can still use integer with // from __future__ import division # This file is used for importing the common utilities classes. import numpy as np import matplotlib.pyplot as plt import sys from Bio.SeqUtils import MeltingTemp as mt from Bio.Seq import Seq # #get better names for the co...
prheenan/Research
Perkins/Projects/Primers/Util/MeltingTemperatureUtil.py
Python
gpl-3.0
7,466
[ "Biopython" ]
a01bd62b3c60eef8693a35a0fe836ec029b62caa07e4b33e9c06271f68f7b39a
# Copyright (C) 2010-2014 CEA/DEN, EDF R&D # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later version. # # This library ...
FedoraScientific/salome-paravis
src/PV_SWIG/pvsimple.py
Python
lgpl-2.1
46,115
[ "Amber", "ParaView", "VTK" ]
57cfa472317d0a1957a7e1994f5d67fb28374d4f8122932bac794956d64b34ee
######################################################################## # File: RequestDB.py # pylint: disable=no-member ######################################################################## """ Frontend for ReqDB :mod: RequestDB ======================= .. module: RequestDB :synopsis: db holdin...
ic-hep/DIRAC
src/DIRAC/RequestManagementSystem/DB/RequestDB.py
Python
gpl-3.0
34,918
[ "DIRAC" ]
0348108b2ac1ee635dba38e2f45774668996510676846262a717dd33b5a202b6
# # VASP.py # # Interface to VASP (https://www.vasp.at) # # Copyright (c) 2014 Terumasa Tadano # # This file is distributed under the terms of the MIT license. # Please see the file 'LICENCE.txt' in the root directory # or http://opensource.org/licenses/mit-license.php for information. # from __future__ import print_fu...
ttadano/ALM
tools/interface/VASP.py
Python
mit
14,333
[ "VASP" ]
c97c3ea6c21c48ba42cee59f85a04e05d19c301d78f1332c958631b60e1120f9
# -*- coding: utf8 -*- from flask import Flask from flask import request from flask import render_template from flask import flash from flask import jsonify from flask import send_from_directory from flask import g import json import os import sqlite3 DEBUG = True HOST = '0.0.0.0' PORT = 50505 DATAB...
zam121118/mao_flask
server.py
Python
mit
6,490
[ "VisIt" ]
315f0e78feec7b74e1f9050dd1d9383df34a78f02954fa062ff5e5f4229daa82
# Copyright (C) 2011 by Brandon Invergo (b.invergo@gmail.com) # 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. import unittest import os import sys from Bio.Phylo.PAML import codeml, baseml, yn00 from ...
updownlife/multipleK
dependencies/biopython-1.65/Tests/test_PAML_tools.py
Python
gpl-2.0
4,925
[ "Biopython" ]
30ed8f383ce18573ed7a27ed900d4c7d6af5073edb447a4e5329d17c2ffa33a4
#! /usr/bin/env python # -*- coding: utf-8 -*- # vim:fenc=utf-8 # # Copyright © %YEAR% %USER% <%MAIL%> # # Distributed under terms of the %LICENSE% license. """ %HERE% """ import logging logger = logging.getLogger(__name__) import argparse import numpy as np import pandas as pd # import ..geometry3 as g3 # from ..ge...
mjirik/teigen
teigen/generators/cylinders.py
Python
apache-2.0
15,664
[ "VTK" ]
b865892a1870c00b776c156c9b5a559645ce8bcaab7e051ecbc13233d091160c
""" Computational Neurodynamics Exercise 1 Simulates Izhikevich's neuron model using the Runge-Kutta 4 method. Parameters for regular spiking, fast spiking and bursting neurons extracted from: http://www.izhikevich.org/publications/spikes.htm (C) Murray Shanahan et al, 2015 """ import numpy as np import matplotlib....
cpsnowden/ComputationalNeurodynamics
Exercise_1/Solutions/IzNeuronRK4.py
Python
gpl-3.0
1,896
[ "DIRAC", "NEURON" ]
7471193c28d84362526ea79566f3fc03b1e1cf0be667f7ca80aa1acc77b33a6f
"""Time averages of the positions of a list of atoms. The `TimeAveragedPositions` object is a Filter giving the averaged positions of the atoms in a list of atoms. To do this, it acts as an Observer of the dynamics object moving the atoms, and it can itself be observed by e.g. a `RestrictedCNA` filter or a Trajectory...
auag92/n2dm
Asap-3.8.4/Python/asap3/Filters/TimeAveragedPositions.py
Python
mit
5,298
[ "ASE" ]
8048abd976073241ec2ac871fb16c199ca6f207926018696d3698c1ae6842fdc
from __xml__ import * import sys OPTIONS_WRITER_VERBOSE = True def options_writer_toggle_verbose(): global OPTIONS_WRITER_VERBOSE OPTIONS_WRITER_VERBOSE = not OPTIONS_WRITER_VERBOSE def check_xml_filename(filename): if filename[-4:] != '.xml': print "ERROR <write_::::_options>", print "Fair enough, people n...
12AngryMen/votca-scripts
lib/Carlstuff/votca/ctp__options__.py
Python
apache-2.0
8,030
[ "Gaussian" ]
686a3f146054bfc7cc1a61e4740f8c73b263ebb60e8075188aede34fd5c230e5
import os, sys from collections import namedtuple, OrderedDict, defaultdict import re import numpy import pysam try: import grit except ImportError: sys.path.insert(0, "/home/nboley/grit/grit/") from grit.files.reads import CAGEReads, RAMPAGEReads VERBOSE = False QUIET = False FIX_CHRM_NAMES_FOR_UCSC = False NTH...
nboley/regulatory_network_tools
src/find_motifs.py
Python
gpl-3.0
6,489
[ "pysam" ]
c766aaf3892deaf5815d9e03ee6c080d9f9e7f18e4936a8260e65c1cf2884830
# Copyright 2018 The TensorFlow Probability Authors. # # Licensed under the Apache License, Version 2.0 (the 'License'); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applicable law o...
tensorflow/probability
tensorflow_probability/python/mcmc/sample.py
Python
apache-2.0
14,307
[ "Gaussian" ]
b12b8f7846eb184b0591ec35b5d285d7ad8e449e25d5fd6d8a9bbba8522f0e13
""" count.py Prepare data from HGDP for Smilefinder Wilfried Guiblet """ # Prepare the data from HGDP to Smilefinder # Example of use : python count.py HGDP_FinalReport_Forward.txt hgdp-popfile.txt HGDP_Map.txt > output.csv import sys import optparse import math import os # Get path to the galaxy count tool folder p...
gigascience/galaxy-smilefinder
tools/count/count.py
Python
gpl-3.0
5,163
[ "Galaxy" ]
798d3b4c33d2969870021d34b95960bf7bdff5b96973c7a0713ea12dd8b3fab6
# -*- coding: utf-8 -*- # @Author: YangZhou # @Date: 2017-06-19 12:53:12 # @Last Modified by: YangZhou # @Last Modified time: 2017-06-19 12:50:01 """ this script is used to parrallelize the procedure of getting vasprun.xml""" import aces.tools as tl from aces import config from aces.App import App import time im...
vanceeasleaf/aces
aces/script/vasprun.py
Python
gpl-2.0
2,365
[ "LAMMPS" ]
1a66fe27daac2ff58da78fdbd9f9bb1d937096fa948d2c67650d1381d2dd43f1
#!/usr/bin/env python import os import re import sys import warnings from setuptools import setup, find_packages from setuptools import Command MAJOR = 0 MINOR = 9 MICRO = 6 ISRELEASED = False VERSION = '%d.%d.%d' % (MAJOR, MINOR, MICRO) QUALIFIER = '' DISTNAME = 'xarray' LICENSE = 'Apache' AUTHOR = 'xarray Develop...
jhamman/xray
setup.py
Python
apache-2.0
4,651
[ "NetCDF" ]
61b4780be72724ec8b00d405e269f08cd965d9f7d13b7ef7bb34ca26e2b7a42c
#!/usr/bin/env python """ """ import vtk def main(): colors = vtk.vtkNamedColors() fileName1, fileName2 = get_program_parameters() tissueMap = CreateTissueMap() colorLut = CreateFrogLut() # Setup render window, renderer, and interactor. renderer = vtk.vtkRenderer() renderWindow = vtk....
lorensen/VTKExamples
src/Python/Visualization/ViewFrogSkinAndTissue.py
Python
apache-2.0
7,509
[ "Gaussian", "VTK" ]
b4f251389c1088af4c8cb9daea95186294b0a0357444730764940539c7ae2bc4
# Copyright(c) 2005 Jason Stubbs <jstubbs@gentoo.org> # Copyright(c) 2005-2006 Brian Harring <ferringb@gmail.com> # Copyright(c) 2009-2010 Gentoo Foundation # # Licensed under the GNU General Public License, v2 # # $Header$ """Provides attributes and methods for a category/package-version string.""" __all__ = ( 'CPV...
dol-sen/gentoolkit
pym/gentoolkit/cpv.py
Python
gpl-2.0
6,304
[ "Brian" ]
5a28c1d7b72bd554a471aeafdc4d3c4a4be8c08480e65beedec7ff2eb279f3c5
""" Courseware views functions """ import json import logging import urllib from collections import OrderedDict from datetime import datetime import analytics import newrelic.agent from django.conf import settings from django.contrib.auth.decorators import login_required from django.contrib.auth.models import User, A...
solashirai/edx-platform
lms/djangoapps/courseware/views.py
Python
agpl-3.0
69,986
[ "VisIt" ]
0454d7c07750feb234f6df9ccfbc520128ffd6686af600993c69401a4f6785f4
""" Urwid-based class hierarchy that forms the front end of the SoCLI application. """ import sys import subprocess import urwid import socli.printer as pr question_post = None question_page = None display_header = None MAIN_LOOP = None class UnicodeText(urwid.Text): """ encode all text to utf-8 """ def _...
gautamkrishnar/socli
socli/tui.py
Python
bsd-3-clause
12,856
[ "VisIt" ]
15882baaf2587a3845c3f94cb5d9cf77b4aeb2a1051b2eb94dceb97448508863
countries_info_list = [ { "name": { "common": "Afghanistan", "official": "Islamic Republic of Afghanistan", "native": { "common": "\u0627\u0641\u063a\u0627\u0646\u0633\u062a\u0627\u0646", "official": "\u062f \u0627\u0641\u063a\u0627\u0646\u...
Impactstory/total-impact-webapp
totalimpactwebapp/countries_info.py
Python
mit
322,120
[ "BWA" ]
c2b9b09dc6c1246cf38d7926332990e11e9967e6a3e30888c387181a4254b9e9
#!/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...
nuclear-wizard/moose
scripts/github_traffic.py
Python
lgpl-2.1
4,889
[ "MOOSE" ]
7dfacaec8303bc84d05877d3e32261361424efa2c007e91543f918ec7d85798e
# Copyright (c) 2013,Vienna University of Technology, Department of Geodesy and Geoinformation # All rights reserved. # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # * Redistributions of source code must retain the a...
christophreimer/pytesmo
pytesmo/io/sat/ascat.py
Python
bsd-3-clause
44,381
[ "NetCDF" ]
5621938d05312658ffe8daf141d5b8898f764bc39186e1bab4222ac7b203e0b5
# -*- coding: utf-8 -*- ############################################################################ # Copyright (C) 2010 by Nestor Aguirre # # nfaguirre@imaff.cfmac.csic.es # # ...
nfaguirrec/piamod
src/Atom.py
Python
gpl-2.0
15,499
[ "Molpro" ]
a1b09719675205faec5937887678568f48f9da4bab4b888ad414bafeffe43784
# Import the modules import cv2 from sklearn.externals import joblib from skimage.feature import hog import numpy as np from PIL import Image # Load the classifier clf = joblib.load("digits_cls_alpha6.pkl") # Read the input image im = cv2.imread("adrienne2b.jpg") im_pil = Image.open("adrienne2b.jpg") # Convert to g...
forrestgtran/TeamX
handwritingRecognition/performRecognitionAlpha.py
Python
apache-2.0
2,865
[ "Gaussian" ]
f224cba850f65fbb9179148347d14754a4d0de102841a452694acc81116a44e4
#!/usr/bin/env python # -*- coding: utf8 -*- # ***************************************************************** # ** PTS -- Python Toolkit for working with SKIRT ** # ** © Astronomical Observatory, Ghent University ** # ***************************************************************** ##...
SKIRT/PTS
dustpedia/core/sdss.py
Python
agpl-3.0
37,998
[ "Galaxy" ]
32693dcc93c9ba440cbba31ffd5ffb4df805a981b3615a921a4c9e1c47d85ebe
# -*- coding: utf-8 -*- # import wikipedia import requests import json import ast import pickle import os import re # A nearly complete list of IBA cocktail names: drink_list = [ "Manhattan Dry", "Bacardi cocktail", "Alexander", "Americano", "Angel Face", "Aviation", "Casino", "Clover Club", "Daiquiri", "Gin ...
DeMcA/cocktail
wiki_parser.py
Python
gpl-3.0
12,789
[ "CASINO", "ESPResSo" ]
ce3313b64fec045ce4b01f302f96b85f73b825911994f3ac75d653ae635d26a9
"""This module contains the default values and constants used in pvfactors """ import numpy as np # Geometry params DEFAULT_NORMAL_VEC = None TOL_COLLINEAR = 1e-5 # Ground params MAX_X_GROUND = 1e2 MIN_X_GROUND = - MAX_X_GROUND Y_GROUND = 0. # PV rows parameters X_ORIGIN_PVROWS = 0. DEFAULT_RHO_FRONT = 0.01 DEFAULT_...
SunPower/pvfactors
pvfactors/config.py
Python
bsd-3-clause
1,076
[ "Gaussian" ]
602ce2a6b9a0cf82d4db5ca85405b9ba6d6b98c3d12cde685f39aaf76303adee
# # @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/share/psi4/databases/CORE.py
Python
lgpl-3.0
23,803
[ "Psi4" ]
48ba1dfcf53ce9beb7414bbbcb9919dcd2752c5fb72a9cf9f8ce41f12e50f4d3
#!/bin/env python3 import sys from VASP import readGjf, readVasp, writeVasp if len(sys.argv) == 1: print('') print('Usage: %s POSCAR gjf_file1 gjf_file2 ...' % sys.argv[0].split('/')[-1]) print('') exit(1) print('') print('############### This script converts gjf file into vasp file ###############')...
Mabinogiysk/VASP-script
gjf2vas.py
Python
gpl-2.0
986
[ "VASP" ]
591e7046bb88ea087191ed1f280fb7aa06c13d65b3f75b0c14b5dcddef22dcc1
import sys import pytest import numpy as np from numpy.testing import ( assert_, assert_raises, assert_equal, assert_warns, assert_no_warnings, assert_array_equal, assert_array_almost_equal, suppress_warnings) from numpy.random import Generator, MT19937, SeedSequence random = Generator(MT19937()) @pyt...
pizzathief/numpy
numpy/random/tests/test_generator_mt19937.py
Python
bsd-3-clause
84,921
[ "Gaussian" ]
e532aa7df75de23745d6516fd5ab8310adedf172b355e36a4f37947ad772f152
"""Diffusion by an exchange process""" from math import sqrt from ase import Atoms, Atom from ase.io import write from ase.visualize import view from ase.constraints import FixAtoms from ase.optimize import QuasiNewton, MDMin from ase.neb import NEB from ase.calculators.emt import EMT a = 4.0614 b = a / sqrt(2) h = ...
qsnake/gpaw
doc/exercises/neb/neb3.py
Python
gpl-3.0
1,760
[ "ASE" ]
830fbcc11f84582ae6ca90f0fd34d39fbf3b6dc1a3249278e0ebd6809acce8cf
import warnings from pandas import DateOffset, DatetimeIndex, Series, Timestamp from pandas.compat import add_metaclass from datetime import datetime, timedelta from dateutil.relativedelta import MO, TU, WE, TH, FR, SA, SU # noqa from pandas.tseries.offsets import Easter, Day import numpy as np def next_monday(dt):...
pjryan126/solid-start-careers
store/api/zillow/venv/lib/python2.7/site-packages/pandas/tseries/holiday.py
Python
gpl-2.0
16,176
[ "COLUMBUS" ]
7d2edf515204bbe973391838c43ddb6035dc6fbdb4523a18e20298817fb67a42
#!/usr/bin/env python """ GOAL - make disk images from galfit output of 1, 2, and 3-comp fits - measure R50 and R90 for each image PROCEDURE if galfit is able to complete the N-component model (1) identify disk components display images of components display fit parameters ...
rfinn/LCS
paper1code/LCSmkdiskimage.py
Python
gpl-3.0
48,086
[ "Galaxy" ]
fb3cdf01bfd1476d4c31ee1d496f2fb7c28cb53760909d0c2a0e3d6c37b48567
from __future__ import annotations # system imports import ast import collections import contextlib import copy import functools import gettext import importlib import locale import os import pathlib import re import subprocess import threading import traceback import typing import sys # third part imports import num...
nion-software/nionswift
nion/swift/ScriptsDialog.py
Python
gpl-3.0
36,510
[ "VisIt" ]
35dfdce66efd237c3bf78b27123067e1841ca1de708ef0892ad6c5139e4d4b70
#!/usr/bin/env python3 # -*- coding: utf-8 -*- import os import copy import glob import time import tarfile from io import BytesIO from ruamel import yaml from datetime import datetime, timedelta from leatherman.fuzzy import fuzzy from exceptions import AutocertError from utils.dictionary import merge, head, body, h...
mozilla-it/autocert
autocert/api/bundle.py
Python
mit
12,139
[ "VisIt" ]
811dfe48089b2e5529593ff24c611d3d561aefbd4d8940ce8d8849fff2a5d274
# Copyright (c) 2012, CyberPoint International, LLC # All rights reserved. # # Redistribution and use in source and binary forms, with or without # modification, are permitted provided that the following conditions are met: # * Redistributions of source code must retain the above copyright # notice, this list...
CyberPoint/libpgm
libpgm/CPDtypes/lgandd.py
Python
bsd-3-clause
5,734
[ "Gaussian" ]
289d6f9c68d4bb2b643a4f526d3ad58a8e53c08607efb489c0d9144b16399b15
#!/usr/bin/env python import os import os.path import sys import gzip from argparse import ArgumentParser from Bio import SeqIO from IMCoalHMM.hmm import Forwarder def main(): usage = """%(prog)s [options] <input> <input format> <output dir> This program reads in an input sequence in any format supported by Bio...
mailund/IMCoalHMM
scripts/prepare-alignments.py
Python
gpl-2.0
7,813
[ "Biopython" ]
05e4ac7264d79a69d3f21519853ba559a5ad1b21bae277288d0759ad2156aa10
# -*- coding: utf-8 -*- # Copyright 2012 by Christian Brueffer. 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. """Command line wrapper for the motif finding program XXmotif.""...
zjuchenyuan/BioWeb
Lib/Bio/motifs/applications/_xxmotif.py
Python
mit
9,343
[ "Biopython" ]
8bfa64ef21db63ff1f2c1ad6bc4f30ba651861912c31fce8983828a9fc703844
# gimbal_macro.py # the macro to generate a gimbal, a mechanism with the roll-pitch angles as degrees of freedom # created by charlyoleg on 2013/12/11 # # (C) Copyright 2013 charlyoleg # # This file is part of the Cnc25D Python package. # # Cnc25D is free software: you can redistribute it and/or modify # it under the ...
charlyoleg/Cnc25D
cnc25d/tests/gimbal_macro.py
Python
gpl-3.0
15,143
[ "VisIt" ]
98e6818b6729dcae1ca48d3b01d9a861bbffd1bb4d7d8e4bfea591b506ccd678
# # Copyright (C) 2004 Stefan Seefeld # All rights reserved. # Licensed to the public under the terms of the GNU LGPL (>= 2), # see the file COPYING for details. # """The SXR Facade around the HTML Formatter """ from Synopsis import config from Synopsis import IR from Synopsis.Processor import * import HTML from HTML...
stefanseefeld/synopsis
Synopsis/Formatters/SXR.py
Python
lgpl-2.1
4,180
[ "VisIt" ]
50872a5cb07aa0dd4d7e73b7b15a9fb650e23e2f028c55f8a03dd270560fe7da
""" A script to automate installation of tool repositories from a Galaxy Tool Shed into an instance of Galaxy. Galaxy instance details and the installed tools can be provided in one of three ways: 1. In the YAML format via dedicated files (see ``tool_list.yaml.sample`` for a sample of such a file) 2. On the command...
nuwang/ansible-galaxy-tools
files/install_tool_shed_tools.py
Python
mit
28,603
[ "Galaxy" ]
cdb23d9283ecdd0219157da434eb19c7864f4b5b108f0eb87bc1388a570772f9
""" Data literal storing emoji names and unicode codes """ EMOJI_UNICODE = { u'airplane': u'\U0001F6E9', u'alien': u'\U0001F47D', u'alien': u'\U0001F47E', u'ambulance': u'\U0001F691', u'amphora': u'\U0001F3FA', u'anchor': u'\U00002693', u'angel': u'\U0001F47C', u'anger': u'\U0001F4A2'...
lizadaly/botilius_syrus
short_unicode.py
Python
cc0-1.0
19,628
[ "CRYSTAL", "Octopus" ]
669cedf1534830219484ac018d2be38908b184bd841bf98a47f8adedaaedb642
# -*- coding: ISO-8859-15 -*- # ============================================================================= # Copyright (c) 2004, 2006 Sean C. Gillies # Copyright (c) 2007 STFC <http://www.stfc.ac.uk> # # Authors : # Dominic Lowe <d.lowe@rl.ac.uk> # # Contact email: d.lowe@rl.ac.uk # =======================...
wonder-sk/QGIS
python/ext-libs/owslib/coverage/wcs100.py
Python
gpl-2.0
18,950
[ "NetCDF" ]
0d7b36fd00ac548ab282eb8cf2267a235b1b8cfa62a4f8409e16f7b1ba43f68c
# # @BEGIN LICENSE # # Psi4: an open-source quantum chemistry software package # # Copyright (c) 2007-2017 The Psi4 Developers. # # The copyrights for code used from other parties are included in # the corresponding files. # # This program is free software; you can redistribute it and/or modify # it under the terms of ...
kratman/psi4public
psi4/driver/qcdb/subsetgenerator.py
Python
gpl-2.0
4,329
[ "Psi4" ]
3c7781b3494a9de5081e6a0afc14f86dd8e317b24b8fb1597e886ae420d17ba6
__author__ = 'teknokrat-as' def hypo(x): i = 0 vw = "aeıioöuü" cn = "bcçdfgğhjklmnprsştvyz" while i < len(x): if x[i] in vw: if i + 1 < len(x) and x[i+1] in vw: return x[0:i+1] + "-" + hypo(x[i+1:len(x)]) elif i + 2 < len(x) and x[i+2] in vw: ...
teknokrat-as/heceleme
hyphenate.py
Python
gpl-3.0
133,226
[ "Amber", "Jaguar", "RASPA" ]
404f91b0e5a00602b4615528536f77765ad081e93769e2853370af4e56112e85
#!/usr/bin/env python # -*- coding: utf-8 -*- # pofix - perform string fixups on incoming .po files. # # The purpose of this script is to save translators from having to # apply various string fixes needed before stable release by hand. It is # intended to be run on each incoming .po file as the Lord of # Tra...
RushilPatel/BattleForWesnoth
utils/pofix.py
Python
gpl-2.0
272,414
[ "BLAST", "GULP", "VisIt" ]
a62a83a3bcd264ddd6c0af44babb42f9b938a7d1725c5d6b2992c213f6ecaa10
import os import sys from setuptools import setup, find_packages from tethys_apps.app_installation import custom_develop_command, custom_install_command ### Apps Definition ### app_package = 'netcdf_to_gssha' release_package = 'tethysapp-' + app_package app_class = 'netcdf_to_gssha.app:NetcdfToGsshaInput' app_package_...
CI-WATER/tethysapp-netcdf_to_gssha
setup.py
Python
bsd-2-clause
1,138
[ "NetCDF" ]
703598948c1daaf660e82504577760a71e3c66aad6735d37cc37ff295447be4b
#!/usr/bin/env python # Copyright 2014 the V8 project authors. All rights reserved. # Use of this source code is governed by a BSD-style license that can be # found in the LICENSE file. # This script retrieves the history of all V8 branches and trunk revisions and # their corresponding Chromium revisions. # Requires ...
hellotomfan/v8-coroutine
deps/v8/tools/push-to-trunk/releases.py
Python
gpl-2.0
18,090
[ "VisIt" ]
0689785fcab183f809d081e0a211e84be8bddcfc5a575f08dddda271a8743852
# 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...
WarrenWeckesser/scipy
scipy/special/add_newdocs.py
Python
bsd-3-clause
241,215
[ "Gaussian" ]
67fcf597ef9602e98a174176fdedb4233d61d3eb992a5036e7f33e56250492ec
# Copyright 2016 The TensorFlow Authors. All Rights Reserved. # # Licensed under the Apache License, Version 2.0 (the "License"); # you may not use this file except in compliance with the License. # You may obtain a copy of the License at # # http://www.apache.org/licenses/LICENSE-2.0 # # Unless required by applica...
odejesush/tensorflow
tensorflow/contrib/factorization/python/ops/gmm.py
Python
apache-2.0
5,711
[ "Gaussian" ]
30524d8b19100efb6abda9e85a1b2542598ec8ef9c038da15d95f3ece448fe47
#----------------------------------------------------------------- # _ast_gen.py # # Generates the AST Node classes from a specification given in # a .yaml file # # The design of this module was inspired by astgen.py from the # Python 2.5 code-base. # # Copyright (C) 2008-2012, Eli Bendersky # License: BSD #----------...
bussiere/pypyjs
website/demo/home/rfk/repos/pypy/lib_pypy/cffi/_pycparser/_ast_gen.py
Python
mit
8,684
[ "VisIt" ]
e6850e4dfb6ecd24254ad300fdb147b605ddccdcb3ae7b94257d536cc305ccee
#!/usr/bin/env python """ File Catalog Client Command Line Interface. """ from __future__ import print_function from __future__ import absolute_import from __future__ import division # TODO: This should be modernised to use subprocess(32) try: import commands except ImportError: # Python 3's subprocess module...
ic-hep/DIRAC
src/DIRAC/DataManagementSystem/Client/FileCatalogClientCLI.py
Python
gpl-3.0
80,720
[ "DIRAC" ]
a18bac085fa98cf885e72f8eaa7fd2ba87c1e8c2653957cb76b3e1e980b6be80
#!/usr/bin/env python """ # TOR manager module developed by Marios Kourtesis <name.surname@gmail.com> """ import commands import socket import time from multiprocessing import Process from framework.dependency_management.dependency_resolver import BaseComponent from framework.lib.general import cprint class TOR_man...
DarKnight24/owtf
framework/http/proxy/tor_manager.py
Python
bsd-3-clause
5,252
[ "VisIt" ]
abc76be7fb09b95b147c2aa5169144117650581e44fd0f60f5c212cacb525428
from flask import Flask from flask_restful import Api from flask import request import simplekml import time from shapely.geometry import Polygon from shapely import wkt from dynamic_kmls import netcdf2kml from geophys_utils.dataset_metadata_cache import get_dataset_metadata_cache import logging DATABASE_ENGINE = 'SQL...
alex-ip/geophys_utils
examples/dynamic_kmls/app.py
Python
apache-2.0
6,759
[ "NetCDF" ]
55059a7ab94c35846c1e44e9366ff3da37422c7e8ed673dae94ea905de2d51b8
import vtk from glob import glob import os file_path = "/raid/home/ksansom/caseFiles/mri/VWI_proj/case4/fluent_dsa/ensight/" out_dir = "/raid/home/ksansom/caseFiles/mri/VWI_proj/case4/fluent_dsa/vtk_out" wall = True surface = True file_pattern = "case4_dsa_0.15_fluent.encas" filelist = sorted(glob(os.path.join(file...
kayarre/Tools
vtk/ensight2vtk.py
Python
bsd-2-clause
3,464
[ "VTK" ]
b267121f03978007a7be42f80c8dd7470c0ad6f16affdc05d1ebde7b3c9aa252
"""van der Waals correction schemes for DFT""" import numpy as np from ase.units import Bohr, Hartree from ase.utils import prnt from ase.calculators.calculator import Calculator # dipole polarizabilities and C6 values from # X. Chu and A. Dalgarno, J. Chem. Phys. 121 (2004) 4083 # atomic units, a_0^3 vdWDB_Chu04jc...
askhl/ase
ase/calculators/vdwcorrection.py
Python
gpl-2.0
8,964
[ "ASE" ]
13df14ec24c8eac38be90660b99e6c88462ac96da00406d4f7d2a0c6d7a63017
#!/usr/bin/env python import fontforge import sys import json # map of characters to extract metrics_to_extract = { # Font name "AMS-Regular": { u"\u21e2": None, # \dashrightarrow u"\u21e0": None, # \dashleftarrow }, "Main-Regular": { # Skew and italic metrics can't be easily...
andrewrothstein/Escher.jl
assets/bower_components/katex/metrics/extract_ttfs.py
Python
mit
3,107
[ "Bowtie" ]
bf03474b183470b52edd25e7b49c5eaf73c9752df1ed8257382f69594647a7c0
""" SALTS XBMC Addon Copyright (C) 2014 tknorris 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 (at your option) any later version. T...
AMOboxTV/AMOBox.LegoBuild
plugin.video.salts/scrapers/rlssource_scraper.py
Python
gpl-2.0
3,722
[ "ADF" ]
7ea1c0e2921d69ba8a050f091c20c730b095bda99d7d5e8b0164c30e3d242c57
# This file is a modified version of a tutorial Google released showing how # to use TensorFlow. In that tutorial, Google recommends modifying the script # for different projects, which is exactly what I have done. """ Builds the neural network. Summary of available functions: # Compute input images and labels fo...
BigOz/whats-for-dinner
src/nn_config.py
Python
bsd-2-clause
16,003
[ "Gaussian" ]
7af00e78a4af77bf8db4c5f37e2af8f4d05a07ebebbcdb90eb5e8b272f45504c
# -*- coding: utf-8 -*- { "'Cancel' will indicate an asset log entry did not occur": "'cancelar' irá indicar que a entrada de log de ativo não ocorreu", "A location that specifies the geographic area for this region. This can be a location from the location hierarchy, or a 'group location', or a location that has a bou...
flavour/ifrc_qa
languages/pt-br.py
Python
mit
271,409
[ "VisIt" ]
ae56053f8a644ba0c7d4de4a2cc4ca1cd6745167373148b3e1c311f1f9d728ea
# Licensed under a 3-clause BSD style license - see LICENSE.rst """Mathematical models.""" from collections import OrderedDict import numpy as np from .core import (Fittable1DModel, Fittable2DModel, ModelDefinitionError) from .parameters import Parameter, InputParameterError from .utils import e...
funbaker/astropy
astropy/modeling/functional_models.py
Python
bsd-3-clause
72,304
[ "DIRAC", "Gaussian" ]
ec60aca1b59ad1e72bc4578b6067c1bed8b18be8aa1c3c8a60898d00d55e7404
""" Test the API for Gyms """ from app.tests.api.personalised.gym_visit_collection.gym_visit_common import \ GymVisitAPICommonCase class TestGymVisitCollectionModelData(GymVisitAPICommonCase): """ Test the API methods for the Gym """ def test_gym_visit_list(self): """ Test that a list of...
Gimpneek/exclusive-raid-gym-tracker
app/tests/api/personalised/gym_visit_collection/test_model_data.py
Python
gpl-3.0
1,098
[ "VisIt" ]
1a318d6ba8bed18b848e25e7619bd500db3dfcd2c306e00be4acb0c03d7b5a91
# coding: utf-8 # # Nengo Example: A Single Neuron # This demo shows you how to construct and manipulate a single leaky integrate-and-fire (LIF) neuron. The LIF neuron is a simple, standard neuron model, and here it resides inside a neural population, even though there is only one neuron. # In[ ]: import numpy as n...
harshkothari410/snn-image-segmentation
sing_neuron.py
Python
mit
2,622
[ "NEURON" ]
cee5f0550113e67b276db850f1f0ecd40b39b8b8029a4fb10537021d4839dbba
"""Compatibility fixes for older versions of libraries If you add content to this file, please give the version of the package at which the fix is no longer needed. # originally copied from scikit-learn """ # Authors: Emmanuelle Gouillart <emmanuelle.gouillart@normalesup.org> # Gael Varoquaux <gael.varoquau...
wmvanvliet/mne-python
mne/fixes.py
Python
bsd-3-clause
36,651
[ "Gaussian" ]
f6268a9fda0171fa96ac6456989d76bfdffebf39acafd0cd98fa43de31fd3502
import os import importlib import linecache import ast from collections import defaultdict from contextlib import contextmanager class ImportVisitor(ast.NodeVisitor): def __init__(self): super().__init__() self.imports = defaultdict(list) self.froms = defaultdict(list) def imported(se...
jalanb/dotsite
pysyte/imports.py
Python
mit
5,331
[ "VisIt" ]
534a9074b01b5eb1a173337526aa3ffad3575580ddf06acc0caa163dc254296f
import datetime import json import os import unittest2 from google.appengine.ext import ndb from google.appengine.ext import testbed from consts.district_type import DistrictType from consts.event_type import EventType from helpers.event_manipulator import EventManipulator from models.event import Event class TestE...
nwalters512/the-blue-alliance
tests/test_event_manipulator.py
Python
mit
3,545
[ "COLUMBUS" ]
d06d3686f844dd6b6aec192e4e27ae150087c4c2e1d54b258af5212b2a6c2a33
# -*- test-case-name: mamba.test.test_mamba -*- # Copyright (c) 2012 Oscar Campos <oscar.campos@member.fsf.org> # See LICENSE for more details """ Mamba is a high-level RAD Web Applications framework based on Twisted Web with lot of steroids. You can use ExtJS4 or Sencha2 as frontend for your web applications. HTML o...
DamnWidget/mamba
mamba/__init__.py
Python
gpl-3.0
1,373
[ "VisIt" ]
24ba616115d4e5bda22e5aed94e78c515fd32c4f30e8207addf9603acb739dc4
import mdtraj as md from msmbuilder import example_datasets, cluster, msm, featurizer, lumping, utils, dataset, decomposition from sklearn.pipeline import make_pipeline trj0 = md.load("traj-refine_implicit_md.xtc", top="topol-renumbered-implicit.pdb") trj0 = trj0[0:50] X = dataset.dataset("./tica.h5") Xf = np.concate...
choderalab/MSMs
code/analysis/plot_structures.py
Python
gpl-2.0
642
[ "MDTraj" ]
efc4ed27d9ac3d4668fcdce2ca8c8d5b8f6dd89560cf68984f76bbd8495dbde5
# -*- coding: utf-8 -*- """ Model Definitions for ozpcenter * Many Models use a custom Manager class to limit returned instances of Model TODO: Find more effective way to do exclude security_marking Many models use a custom manager to control access to model instances Ex) Instead of using models.Listing.objects.all...
aml-development/ozp-backend
ozpcenter/models.py
Python
apache-2.0
76,440
[ "VisIt" ]
c2f220c186777dc16e76cd22e5d0293018be85420421b659c5683d65d40177a6
# Copyright (C) 2002, Thomas Hamelryck (thamelry@binf.ku.dk) # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """Model class, used in Structure objects.""" from Bio.PDB.Entity import Entity class...
BlogomaticProject/Blogomatic
opt/blog-o-matic/usr/lib/python/Bio/PDB/Model.py
Python
gpl-2.0
1,819
[ "Biopython" ]
62bacaa633db0e6bdded13b7d5b65294bdc8a24df5f509535f1c9f040879f104
# -*- coding: latin-1 -*- # Copyright (C) 2009-2014 CEA/DEN, EDF R&D # # This library is free software; you can redistribute it and/or # modify it under the terms of the GNU Lesser General Public # License as published by the Free Software Foundation; either # version 2.1 of the License, or (at your option) any later ...
FedoraScientific/salome-hexablock
doc/pyplots/bielle.py
Python
lgpl-2.1
23,345
[ "VTK" ]
58b70c5557aebd9640faec4c91b7e5aec4f353e159073cee16e87697ef111570
#!/usr/bin/env python import numpy import itertools from pymatgen.core.lattice import Lattice from pymatgen.core.operations import SymmOp from pymatgen.core.structure import Structure from crystal import fillcell, tikz_atoms def Si512Mn(): a = 5.43 fcc = Lattice([[a/2,a/2,0],[a/2,0,a/2],[0,a/2,a/2]]) sup...
ldamewood/figures
scripts/Si512Mn.py
Python
mit
1,399
[ "CRYSTAL", "pymatgen" ]
a239ab61945272e0e7da93e7d5619d2328f9358eb29bb69df5f015bd9df1a5e2
# pymol from chempy import Bond import copy import random # cap gaps in chain as aldehydes and neutral amines... # (for instance, when def cap(object): from pymol import cmd model = cmd.get_model(object) # guarantee identical ordering cmd.delete(object) cmd.load_model(model,object) n_lis...
gratefulfrog/lib
python/chempy/bmin/util.py
Python
gpl-2.0
1,619
[ "ChemPy", "PyMOL" ]
f4a5b862f3b5056e1409d7b3e75eb94c1992b1faa89db4b6ec123da232bfbcf3
# -*- coding: utf-8 -*- # Copyright: (c) 2020-2021, Ansible Project # GNU General Public License v3.0+ (see COPYING or https://www.gnu.org/licenses/gpl-3.0.txt) """Concrete collection candidate management helper module.""" from __future__ import (absolute_import, division, print_function) __metaclass__ = type import ...
renard/ansible
lib/ansible/galaxy/collection/concrete_artifact_manager.py
Python
gpl-3.0
25,905
[ "Galaxy" ]
3f8f60f08eb7f4101b511cc79aa8fafde012cf38431b9eb52e801b891bf7f8df
# Developed by Redjumpman for Redbot. # Inspired by Spriter's work on a modded economy. # Creates 1 json file, 1 log file per 10mb, and requires tabulate. # STD Library import asyncio import gettext import logging import logging.handlers import os import random from copy import deepcopy from fractions import Fraction ...
vjmac15/Lyilis
cogs/casino.py
Python
gpl-3.0
121,748
[ "CASINO" ]
35006e0a1bbaa64c834940d5b9143b948ec757b81a91ffc8e6db5208829d44ad
#!/usr/bin/env python """Example code of DDPG on OpenAI Gym environments. For DDPG, see: https://arxiv.org/abs/1509.02971 """ from __future__ import division import argparse import collections import copy import random import gym import numpy as np import chainer from chainer import functions as F from chainer impor...
keisuke-umezawa/chainer
examples/reinforcement_learning/ddpg_pendulum.py
Python
mit
9,709
[ "Gaussian" ]
7b05f10a3e37bb6bd7b13efa51092bcaa70f0808d76cc3549236da6c14878548
__author__ = 'sibirrer' #this file contains a class to make a gaussian import numpy as np import scipy.special import scipy.integrate as integrate from astrofunc.LensingProfiles.gaussian import Gaussian class GaussianKappa(object): """ this class contains functions to evaluate a Gaussian function and calculat...
sibirrer/astrofunc
astrofunc/LensingProfiles/gaussian_kappa.py
Python
mit
5,479
[ "Gaussian" ]
bb6c20d39a3f5851c83072a042f2d482cf8d7dfc496728d1bc261a2e4eefd68f
"""Utility functions for data input and output.""" import logging import subprocess import numpy as np def data_in_label(intvl_in, dtype_in_time, dtype_in_vert=False): """Create string label specifying the input data of a calculation.""" intvl_lbl = intvl_in time_lbl = dtype_in_time lbl = '_'.join(['...
spencerkclark/aospy
aospy/utils/io.py
Python
apache-2.0
5,244
[ "NetCDF" ]
f9f47026563dddc6fca15f6276bedc714d2ffcc6cf07a437e05a33a95ba0887c