text
stringlengths
12
1.05M
repo_name
stringlengths
5
86
path
stringlengths
4
191
language
stringclasses
1 value
license
stringclasses
15 values
size
int32
12
1.05M
keyword
listlengths
1
23
text_hash
stringlengths
64
64
''' Created : Jan 16, 2017 Last major update : June 29, 2017 @author: Alexandre Day Purpose: Fast density clustering ''' import numpy as np import time from numpy.random import random import sys, os from .density_estimation import KDE import pickle from collections import OrderedDict as OD from sklearn.n...
alexandreday/fast_density_clustering
build/lib/fdc/fdc.py
Python
bsd-3-clause
23,059
[ "Gaussian" ]
edd8fbc860f516658337868398fc5cc0dfd04078c807072111cfe9662feb7f4f
# to understand whot is done here and why, look at myGayss.md # about the root of random numbers in Python # https://github.com/python/cpython/blob/master/Lib/random.py import os import random as r import math import commonVar as common #import urllib.request import zipfile, requests, io # the myGauss calculation is...
terna/SLAPP3
6 objectSwarmObserverAgents_AESOP_turtleLib_NetworkX/oligopoly/myGauss.py
Python
cc0-1.0
5,913
[ "Gaussian" ]
415810dcc5bab419613056ca55c67edbea4a10093f3193db20570233fbfbd61e
#!/usr/bin/python import bvpl_octree_batch; import multiprocessing import Queue import time import os; import optparse; from xml.etree.ElementTree import ElementTree import sys class dbvalue: def __init__(self, index, type): self.id = index # unsigned integer self.type = type # string class gauss_job...
mirestrepo/voxels-at-lems
pmvs/gauss_smoothing_batch.py
Python
bsd-2-clause
9,060
[ "Gaussian" ]
cab273433283780a8e6c5a7ba5f282e53b8d58e95680fac10ed641b6550a5a58
import numpy as np import matplotlib.pyplot as plt import scipy.io def getPlotLog(d,log,dmax=200): d = np.array(d, dtype=float) log = np.array(log, dtype=float) dplot = np.kron(d,np.ones(2)) logplot = np.kron(log,np.ones(2)) # dplot = dplot[1:] dplot = np.append(dplot[1:],dmax) ret...
jaabell/Seismogram
syntheticSeismogram.py
Python
mit
14,041
[ "Gaussian" ]
66be24d192560f10066eadbc34edb86a9ce8316cae77703bca960ee0f5d9052f
"""Copyright 2008 Phidgets Inc. This work is licensed under the Creative Commons Attribution 2.5 Canada License. To view a copy of this license, visit http://creativecommons.org/licenses/by/2.5/ca/ """ __author__ = 'Adam Stelmack' __version__ = '2.1.4' __date__ = 'May 02 2008' from threading import * from ...
jantman/tuxostat
fs_backup/home/tuxostat/devel/PhidgetsPython/Phidgets/Devices/TextLCD.py
Python
gpl-3.0
11,021
[ "VisIt" ]
9cfc73f220dd9a8f03893cf2f7d914db850efea3ead1d3b2f379ca22f29bdd02
from ase import Atom, Atoms from gpaw import GPAW from gpaw.test import equal a = 4.00 d = a / 2**0.5 z = 1.1 b = 1.5 slab = Atoms([Atom('Al', (0, 0, 0)), Atom('Al', (a, 0, 0)), Atom('Al', (a/2, d/2, -d/2)), Atom('Al', (3*a/2, d/2, -d/2)), ...
robwarm/gpaw-symm
gpaw/test/big/miscellaneous/H2Al110.py
Python
gpl-3.0
1,200
[ "ASE", "GPAW" ]
9bc4b11431354565200e87bf85446f07f712d5f617ebf7fea8fc28dd905e989b
#!/usr/bin/env python # # SchoolTool - common information systems platform for school administration # Copyright (c) 2003 Shuttleworth Foundation # # 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...
gorakhargosh/select_backport
runtests.py
Python
mit
42,181
[ "VisIt" ]
573ebdfe2df116b739241422221cfd69b7b642833b2e12f309c966e6b78b3637
# -*- coding: utf-8 -*- # Copyright 2007-2021 The HyperSpy developers # # This file is part of HyperSpy. # # HyperSpy is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free Software Foundation, either version 3 of the License, or # (at...
thomasaarholt/hyperspy
hyperspy/tests/model/test_model.py
Python
gpl-3.0
30,297
[ "Gaussian" ]
6a4e44a3c960f59a988aac46f5e9b2c043d0f15e335438ef8697ac79d2529b79
import numpy as np import tensorflow as tf from tensorflow.contrib import rnn def _print_success_message(): print('Tests Passed') def test_create_lookup_tables(create_lookup_tables): with tf.Graph().as_default(): test_text = ''' Moe_Szyslak Moe's Tavern Where the elite meet to dr...
d-k-b/udacity-deep-learning
tv-script-generation/problem_unittests.py
Python
mit
13,365
[ "MOE" ]
b0987ede237f7413276b10a00969c15bdcd582983cf439b6557bbdaed3c995ce
""" Functions to extract trajectory from a perses relative calculation """ import numpy as np import mdtraj as md from perses.analysis.utils import open_netcdf def get_hybrid_topology(file): """ Extracts hybrid_topology object from the .npy file generated by relative calculations Parameters ----------...
choderalab/perses
perses/analysis/extract_trajectory.py
Python
mit
1,648
[ "MDTraj" ]
ad52eaaf77ea27e17f4f0484d4f58237f8aff78b1aca964993a6b5bf69db17ba
try: visits = int(open(counter_file).read()) except IOError: # first visit : the file does not exist visits = 0 if not hasattr(Session(),"user"): visits += 1 out = open(counter_file,'w') out.write(str(visits)) out.close() Session().user = None # create attribute user print "...
jhjguxin/PyCDC
Karrigell-2.3.5/webapps/demo/counter.py
Python
gpl-3.0
340
[ "VisIt" ]
988395175023477d05d7e2f34a6a40affa0959abf1ed7651a2a2fb8bb72827c8
from ScriptingLanguage.Interpreter import Interpreter, UndefinedVariable __author__ = 'chronium' def visit_expression(expression): left = expression.value[0].visit() if expression.value[1]: right = expression.value[2].visit() try: return { '+': left + right, ...
chronium/ChronoScript
ScriptingLanguage/Visitors/ExpressionVisitor.py
Python
gpl-2.0
820
[ "VisIt" ]
83a77cb6d6d4d023f67c152fe836cbe505f0215eb343b93a579f72a2645bc80f
# -*- coding: utf-8 -*- # # Copyright (C) 2015-2019 Bitergia # # 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. # # This ...
valeriocos/perceval
perceval/backends/core/stackexchange.py
Python
gpl-3.0
10,898
[ "VisIt" ]
1717aba5de58093a7cf1e003c490a92ce7fad78f6be6be14320ca1a7ea1a4bc5
#!/usr/bin/env python import sys import os import subprocess import pysam import textwrap import argparse def print_header(): print textwrap.dedent("""\ ##fileformat=VCFv4.1 ##phasing=none ##INDIVIDUAL=TRUTH ##SAMPLE=<ID=TRUTH,Individual="TRUTH",Description="bamsurgeon spike-in"> ##INFO=<ID=CI...
chaelir/bamsurgeon
etc/makevcf_sv.py
Python
mit
4,073
[ "pysam" ]
e58ad491aaa04415ee07aeef58dd4c915bb67de346770a4d4dc2b75ffb130810
# (c) 2013-2014, Michael DeHaan <michael.dehaan@gmail.com> # (c) 2015 Toshio Kuratomi <tkuratomi@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...
ujenmr/ansible
lib/ansible/executor/module_common.py
Python
gpl-3.0
44,052
[ "VisIt" ]
25dac55812d002e164c32033ee594e48b086010dfed7032042466886c1bb9708
import numpy as np import astropy.units as u from astropy.coordinates import SkyCoord import pandas as pd import pymc3 as pm import seaborn as sns import numba from scipy import integrate from .binaries import make_systems from wisps.utils.tools import get_distance from tqdm import tqdm import wisps import wis...
caganze/wisps
wisps/simulations/euclid.py
Python
mit
3,455
[ "Galaxy" ]
e3ee3958182bfdf2a6b14ff2f6d088663a612f1845727873b042e9518de6751b
""" In this program we study the Lax-Wendroff method and its convergence. Marina von Steinkirch, spring/2013 Based on Mike Zingale's code 2nd-order accurate finite-volume implementation of linear advection with piecewise linear slope reconstruction """ import numpy import pylab import...
bt3gl/Numerical-Methods-for-Physics
homework4_advection_hyperbolic_PDEs/lax_wendroff/lax_method.py
Python
apache-2.0
5,600
[ "Gaussian" ]
c645e7068c20460ea7c04eddb5150f348a0141f6f87a83f6adbeb21e86a48283
# -*- coding: utf-8 -*- """ =============================================================================== Atom classes for crystal structures (:mod:`sknano.core.atoms._basis_atoms`) =============================================================================== .. currentmodule:: sknano.core.atoms._basis_atoms """ ...
scikit-nano/scikit-nano
sknano/core/atoms/_basis_atoms.py
Python
bsd-2-clause
1,432
[ "CRYSTAL" ]
56707c2aa1fe05893ab72f409ca76a5178fdb922e36bafdfe549e2b1d678421d
#! /usr/bin/env python import macrodensity as md import math import numpy as np import matplotlib.pyplot as plt import csv from itertools import izip potential_file = 'LOCPOT' # The file with VASP output for potential coordinate_file = 'POSCAR' # The coordinates file NOTE NOTE This must be in vasp 4 format species =...
WMD-group/MacroDensity
examples/OnSitePotential.py
Python
mit
2,829
[ "ASE", "VASP" ]
db6b6a68d156df98f53a27cc69b74dbf1b2b01bdf4e7c239fe70c23dad1bd69b
#!/usr/bin/env python3 # This file is part of the LSLTools package. # Copyright 2014 # Jari Torniainen <jari.torniainen@ttl.fi>, # Andreas Henelius <andreas.henelius@ttl.fi> # Finnish Institute of Occupational Health # # This code is released under the MIT license # http://opensource.org/licenses/mit-license.php # # P...
bwrc/lsltools
lsltools/sim.py
Python
mit
25,614
[ "Gaussian" ]
1df286255c80c54cf972157326c8950929a2ba14a82c0e1287fcad03c850b843
""" fitness v0.01 - implements a fitness function base class Copyright 2011 Brian Monkaba This file is part of ga-bitbot. ga-bitbot 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 ...
OndroNR/ga-bitbot
libs/fitness.py
Python
gpl-3.0
9,169
[ "Brian" ]
e728219028f96d817ced77a947b3309348dd938efbf15def37b032da4653ee61
from .fgir import * from .optimize import FlowgraphOptimization from .error import Warn import asyncio class PCodeOp(object): '''A class interface for creating coroutines. This helps us keep track of valid computational elements. Every coroutine in a PCode object should be an method of PCodeOp.''' @staticmet...
Planet-Nine/cs207project
pype/pcode.py
Python
mit
5,058
[ "VisIt" ]
02abecc112e32357192d692dbc4d121b81d1886a4438e0eccfa0468f4f8f13d9
import pickle import gzip import os, sys, errno import time import math # numpy & theano imports need to be done in this order (only for some numpy installations, not sure why) import numpy #import gnumpy as gnp # we need to explicitly import this in some cases, not sure why this doesn't get imported with numpy itse...
bajibabu/merlin
src/work_in_progress/run_merlin_v2.py
Python
apache-2.0
58,040
[ "NEURON" ]
ac97443739432a8473ba697444d27c264c134a56611224c5c6e07aacef882b37
import vtk from math import sqrt from vtk.test import Testing plane = vtk.vtkPlane() plane.SetOrigin(5,5,9.8) plane.SetNormal(0,0,1) coords = [(0,0,0),(10,0,0),(10,10,0),(0,10,0), (0,0,10),(10,0,10),(10,10,10),(0,10,10), (5,0,0),(10,5,0),(5,10,0),(0,5,0), (5,0,9.5),(10,5,9.3),...
hlzz/dotfiles
graphics/VTK-7.0.0/Filters/Core/Testing/Python/cutPolygons.py
Python
bsd-3-clause
2,949
[ "VTK" ]
a8e92b2189be7cbb51b1e82cec1ae6a2aff51af6f080230245da246ca95c9762
############################################################################## # MDTraj: A Python Library for Loading, Saving, and Manipulating # Molecular Dynamics Trajectories. # Copyright 2012-2013 Stanford University and the Authors # # Authors: Lee-Ping Wang # Contributors: Robert McGibbon # # MDTraj is fr...
marscher/mdtraj
MDTraj/formats/arc.py
Python
lgpl-2.1
9,800
[ "MDTraj", "TINKER" ]
10a37f3107c6eab0c8ea857cfbefa8560f66399fd9276cbaf0271f0497f9fceb
# -*- coding: utf-8 -*- # @Author: LC # @Date: 2016-03-26 22:42:39 # @Last modified by: LC # @Last Modified time: 2016-04-11 15:22:41 # @Email: liangchaowu5@gmail.com # 功能:单线程下载搜狗输入法的词库,使用时把主函数中的baseDir改成自己的下载目录即可,注意baseDir末尾不能有/ import urllib2 import Queue import re import os import time import downloadSingleFil...
ltf/lab
plab/thesaurus/spider/SougouThesaurusSpider/singleThreadDownload.py
Python
gpl-3.0
3,214
[ "VisIt" ]
e851fd9408ba1f87e7b0c8a2b5bb6fb6661765fb2425776d9bcbec136d0580b5
# -*- coding: utf-8 -*- """ Jinja2 ~~~~~~ Jinja2 is a template engine written in pure Python. It provides a `Django`_ inspired non-XML syntax but supports inline expressions and an optional `sandboxed`_ environment. Nutshell -------- Here a small example of a Jinja template:: {% extends 'base.html' %} {% b...
patricmutwiri/jinja2
setup.py
Python
bsd-3-clause
2,614
[ "VisIt" ]
1db89241e6f21af26ff16089bc7d1d8f3d992274b21125b47f6929fc62a59900
# encoding: utf-8 """ filters.py -- Custom signal filtering functions Exported namespace: amplitude_envelope, halfwave, quick_boxcar, circular_blur Created by Joe Monaco on 2007-11-15. Updated 2009-09-11. Copyright (c) 2007-2009 Columbia University. All rights reserved. Copyright (c) 2009-2011 Johns Hopkins Universit...
jdmonaco/vmo-feedback-model
src/tools/filters.py
Python
mit
2,661
[ "Gaussian" ]
61d18dd539766b125fd1a96e7dfbfc64ca81c17ab75bab80d57bdca617c4ddb8
general_midi = { 1: "Acoustic Grand Piano", 2: "Bright Acoustic Piano", 3: "Electric Grand Piano", 4: "Honky-tonk Piano", 5: "Electric Piano 1", 6: "Electric Piano 2", 7: "Harpsichord", 8: "Clavinet", 9: "Celesta", 10: "Glockenspiel", 11: "Music Box", 12: "Vibraphone", ...
JasonFruit/abcviewer
abcv/general_midi.py
Python
mit
3,121
[ "CRYSTAL" ]
1a71adebfca2315446382bc61de99f5769d9f3642ca9db8f7327f70b4c960baa
############################################################################### ## ## Copyright (C) 2014-2015, New York University. ## Copyright (C) 2011-2014, NYU-Poly. ## Copyright (C) 2006-2011, University of Utah. ## All rights reserved. ## Contact: contact@vistrails.org ## ## This file is part of VisTrails. ## ## ...
hjanime/VisTrails
scripts/dist/mac/setup.py
Python
bsd-3-clause
4,169
[ "VTK" ]
f63c18875adde9a8b723783640b25632363a6839572aecf52d09994cab6940e0
import moose from IPython import embed # Try to connect pool to species pool = moose.Pool('/pool') species = moose.Species('/species') embed() species.pool = pool
rahulgayatri23/moose-core
python/libmumbl/test/test1.py
Python
gpl-3.0
163
[ "MOOSE" ]
75df22b10383b5b901f539ef18d1112a9eb95552115dee828bfefda94094a2fc
#!/usr/bin/env python import sys import logging import argparse from Bio import SeqIO from Bio.Data import CodonTable logging.basicConfig(level=logging.INFO) log = logging.getLogger() def translate(fasta_file, target="protein", table=11, strip_stops=False, met=False): records = list(SeqIO.parse(fasta_file, "fast...
TAMU-CPT/galaxy-tools
tools/fasta/fasta_translate.py
Python
gpl-3.0
2,495
[ "Biopython" ]
5a8e73d43002f9384222b5ea5cb23acbeb2a93616a7d525353d9fa317ec71486
""" ======================================== Special functions (:mod:`scipy.special`) ======================================== .. module:: scipy.special Nearly all of the functions below are universal functions and follow broadcasting and automatic array-looping rules. Exceptions are noted. .. seealso:: `scipy.s...
kenshay/ImageScript
ProgramData/SystemFiles/Python/Lib/site-packages/scipy/special/__init__.py
Python
gpl-3.0
27,475
[ "Gaussian" ]
f1aaad7dc887dd88a14850633fff595bf5b56738645381afd683be596cb59699
import numpy as np import matplotlib.pyplot as plt import emcee import batman def _gaus(x, a, b, x0, sigma): """ Simple Gaussian function Parameters ---------- x : float or 1-d numpy array The data to evaluate the Gaussian over a : float the amplitude b : float the...
jradavenport/ThirdWay
thirdway/thirdway.py
Python
mit
1,017
[ "Gaussian" ]
1fa4a53b1bd98b2d08c03bb1c86adcf1d6171a037db1581339e0d1414129f3e7
# Copyright 2000 by Jeffrey Chang. All rights reserved. # This code is part of the Biopython distribution and governed by its # license. Please see the LICENSE file that should have been included # as part of this package. """This provides useful general math tools. Functions: fcmp Compare two floating point ...
dbmi-pitt/DIKB-Micropublication
scripts/mp-scripts/Bio/mathfns.py
Python
apache-2.0
2,452
[ "Biopython" ]
51ce17408ea06e5c3afe6397219926dc8a1c6ef9ad2523f1aa8686eb8b26f04a
###################################################################### # # Functions to calculate integration points and weights for Gaussian # quadrature # # x,w = gaussxw(N) returns integration points x and integration # weights w such that sum_i w[i]*f(x[i]) is the Nth-order # Gaussian approximat...
KiMiralles/Python-Learning
Computational Physics Newman/Book Resources/gaussxw.py
Python
gpl-3.0
1,896
[ "Gaussian" ]
9b3a2fef5f94dbaf193ce52ef65f1474d3d2dd1858d4e5747b44ccca497860be
################################################################################ # Copyright (C) 2014 Jaakko Luttinen # # This file is licensed under the MIT License. ################################################################################ """ Demonstrate categorical Markov chain with hidden Markov model (HMM...
SalemAmeen/bayespy
bayespy/demos/hmm.py
Python
mit
4,839
[ "Gaussian" ]
e37dca3820568745f853fef5adce5decb7bb12d195701f3ec2bb240c13f5d283
# -*- coding: utf-8 -*- """ *************************************************************************** translate.py --------------------- Date : August 2012 Copyright : (C) 2012 by Victor Olaya Email : volayaf at gmail dot com *****************************...
pblottiere/QGIS
python/plugins/processing/algs/gdal/gdaladdo.py
Python
gpl-2.0
6,874
[ "Gaussian" ]
5f3ec163a1953ca80418be20363f6ec64f7db0358b1b320b432cdf57e2357d96
# This code is part of Ansible, but is an independent component. # This particular file snippet, and this file snippet only, is BSD licensed. # Modules you write using this snippet, which is embedded dynamically by Ansible # still belong to the author of the module, and may assign their own license # to the complete wo...
jonathonwalz/ansible
lib/ansible/module_utils/basic.py
Python
gpl-3.0
104,709
[ "VisIt" ]
1d58b4f33a49cd69bb5b11948628bb2d719869f7f6897b44c5a4ab3b16bf35e2
#!/usr/bin/env python ################################################################################ # hapClassifier.py is script to classify sickle cell haplotypes # Copyright (c) [2017] [Elmutaz Shaikho Elhaj Mohammed] ################################################################################ #!/usr/local/bi...
eshaikho/haplotypeClassifier
hapClassifier.py
Python
mit
6,003
[ "pysam" ]
42dc6da4d695706e89ffe2be63cfb1d400d4e8ac503f9c5c3f12b203c95f64f9
# #@BEGIN LICENSE # # cctransort by Psi4 Developer, a plugin to: # # PSI4: an ab initio quantum chemistry software package # # 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 t...
lothian/cctransort
__init__.py
Python
gpl-2.0
1,151
[ "Psi4" ]
8c1b73889f2af4f030a41176318b9ab8fa285c0940b9475fc9b9c8b608360a61
# Copyright (C) 2012,2013,2016,2018 # 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 software: you can redistribute it and/or modify # it under the term...
espressopp/espressopp
src/interaction/Cosine.py
Python
gpl-3.0
3,359
[ "ESPResSo" ]
7191bad3f202be6a30fa898cf9f6728ba3ff690ef7367961fb8420677fec8f18
import unittest import configparser import os import tempfile import socket from IPy import IP from kagent_utils import KConfig class TestKConfig(unittest.TestCase): # server section url = 'http://localhost:1337/' path_login = 'login/path' path_register = 'register/path' path_ca_host = 'ca/host...
karamelchef/kagent-chef
files/default/kagent_utils/tests/test_kagent_config.py
Python
gpl-3.0
10,234
[ "Elk" ]
9d0e019fe698cfd74770757ce4d1e115e4f3be6d47af942e452399d02e153c66
# -*- coding: utf-8 -*- # # Author: Sam Rushing <rushing@nightmare.com> # # Copyright (C) 2013 Alexander Shorin # All rights reserved. # # This software is licensed as described in the file COPYING, which # you should have received as part of this distribution. # """ .. module:: astm.asynclib :synopsis: Forked vers...
Alwnikrotikz/python-astm
astm/asynclib.py
Python
bsd-3-clause
32,183
[ "Amber" ]
017b63522d347a9b9c7192d0b7d71f80bac5ff21b69960ace2a88c7c2bc836fe
# Mantid Repository : https://github.com/mantidproject/mantid # # Copyright &copy; 2018 ISIS Rutherford Appleton Laboratory UKRI, # NScD Oak Ridge National Laboratory, European Spallation Source # & Institut Laue - Langevin # SPDX - License - Identifier: GPL - 3.0 + import numpy as np from CrystalField import ...
mganeva/mantid
scripts/Inelastic/CrystalField/CrystalFieldMultiSite.py
Python
gpl-3.0
25,091
[ "CRYSTAL", "Gaussian" ]
6bbcf219e1ffed37247f16de0babb4eef5990ae75e9a8e348bbcfe934b252feb
# -*- coding: utf-8 -*- # Copyright (c) 2006-2016 LOGILAB S.A. (Paris, FRANCE) <contact@logilab.fr> # Copyright (c) 2010 Daniel Harding <dharding@gmail.com> # Copyright (c) 2012-2014 Google, Inc. # Copyright (c) 2013-2017 Claudiu Popa <pcmanticore@gmail.com> # Copyright (c) 2014 Brett Cannon <brett@python.org> # Copyri...
lucidmotifs/auto-aoc
.venv/lib/python3.5/site-packages/pylint/checkers/base.py
Python
mit
78,705
[ "VisIt" ]
e2c39f726b2a242d137da94f8d56f3623d77bed0ad23085dd3bd34b0e3da76bc
#!/usr/bin/env python # # Author: Qiming Sun <osirpt.sun@gmail.com> # ''' A simple example to run CASCI calculation. ''' import pyscf mol = pyscf.M( atom = 'O 0 0 0; O 0 0 1.2', basis = 'ccpvdz', spin = 2) myhf = mol.RHF().run() # 6 orbitals, 8 electrons mycas = myhf.CASCI(6, 8).run() # # Note this myc...
sunqm/pyscf
examples/mcscf/00-simple_casci.py
Python
apache-2.0
3,014
[ "PySCF" ]
a792b775e367e5ed9651a6522064cfc0fe8e0725c64297c895da1950234991b6
"""Random variable generators. integers -------- uniform within range sequences --------- pick random element pick random sample generate random permutation distributions on the real line: ------------------------------ uniform ...
trivoldus28/pulsarch-verilog
tools/local/bas-release/bas,3.9-SunOS-i386/lib/python/lib/python2.4/random.py
Python
gpl-2.0
29,814
[ "Gaussian" ]
8e16a071fb83b96a4a186a8c29a477eee2273c4dfcb14966f792e2e8579c4674
#! /usr/bin/env python3 # -*- coding: utf-8 -*- # 2015-04-13T21:56+08:00 import json import time entry = {} entry['title'] = 'Dive into history, 2009 edition' entry['article_link'] = 'http://diveintomark.org/archives/2009/03/27/dive-into-history-2009' entry['comments_link'] = None entry['internal_id'] = b'\xDE\xD5\x...
myd7349/DiveIntoPython3Practices
chapter_13_SerializingPythonObjects/serializing_datatypes_unsupported_by_json.py
Python
lgpl-3.0
2,466
[ "CRYSTAL" ]
0d33c9a022f19591ce6cfc30cdaa4a9b0951f8c075654e57fbd531cfd6a7e990
""" A simple VTK widget for PyQt or PySide. See http://www.trolltech.com for Qt documentation, http://www.riverbankcomputing.co.uk for PyQt, and http://pyside.github.io for PySide. This class is based on the vtkGenericRenderWindowInteractor and is therefore fairly powerful. It should also play nicely with the ...
hlzz/dotfiles
graphics/VTK-7.0.0/Wrapping/Python/vtk/qt/QVTKRenderWindowInteractor.py
Python
bsd-3-clause
19,228
[ "CRYSTAL", "VTK" ]
99bb68443e59dfaf7b9b457697607d8ce712969603911b7981e5c801f59c89a9
#!/usr/bin/env python2 desc="""Report sites with differences between bam files. """ epilog="""AUTHOR: l.p.pryszcz+git@gmail.com Mizerow, 25/02/2014 """ import argparse, os, sys import pysam, subprocess from datetime import datetime from bam2snps import _remove_indels def get_allele_frequency(bases, alphabet="ACGT")...
lpryszcz/bin
bam2difference.py
Python
gpl-3.0
3,445
[ "pysam" ]
b3c6ffa4f484c0f1d85b2f0bc80d09f394eb707992f57c2201b446c10301d7a6
""" This module contains fileIO operations and file conversion for the image processing tool kit in the NSLS-II data analysis software package. The functions included in this module focus on reading and writing netCDF files. This is the file format used by Mark Rivers for x-ray computed microtomography data collected a...
licode/scikit-xray
skbeam/io/net_cdf_io.py
Python
bsd-3-clause
3,187
[ "NetCDF" ]
71787a1fdf66a43c9f10834624bb4927f4f588df1ac6b38140fe4463e51d8923
import numpy from matplotlib import pyplot as plt class Model: def __init__(self, train): self._train = train def fit(self, beta, grad=True): return self(self._train, beta, grad=grad) class MultiModel(Model): def __init__(self, train, terms): """ Arguments: train {*} - The training data ...
bauerca/BikeShareDemand_Carl
models.py
Python
gpl-2.0
4,087
[ "Gaussian" ]
27a0d8ebe205679fc187b960454bfd6b9a60cd78540295939f650c264884d436
#!/usr/bin/python # -*- coding: utf-8 -*- # (c) 2013, Jeroen Hoekx <jeroen.hoekx@dsquare.be>, Alexander Bulimov <lazywolf0@gmail.com> # # This file is part of Ansible # # Ansible is free software: you can redistribute it and/or modify # it under the terms of the GNU General Public License as published by # the Free So...
milad-soufastai/ansible-modules-extras
system/lvol.py
Python
gpl-3.0
14,624
[ "Firefly" ]
62cf2714a9f00a2c9a8e5093db98f999b1003790d528cfd1a856012c60f8e0be
""" Default Django settings. Override these with settings in the module pointed to by the DJANGO_SETTINGS_MODULE environment variable. """ # This is defined here as a do-nothing function because we can't import # django.utils.translation -- that module depends on the settings. def gettext_noop(s): return s ####...
kaedroho/django
django/conf/global_settings.py
Python
bsd-3-clause
22,212
[ "VisIt" ]
cf88a291528d17b86a5645ddecdc25096ef9d50721f46c3de00df526cc9bdc7f
#!@PYTHON_EXECUTABLE@ # # @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 #...
mhlechner/psi4
psi4/run_psi4.py
Python
gpl-2.0
10,262
[ "Psi4" ]
693033d3a479b51988b8a9403e2b14afaf98be806c434b87f9796ecbbf04b8af
# Copyright 2008-2015 Nokia Solutions and Networks # # 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 l...
moto-timo/robotframework
src/robot/model/itemlist.py
Python
apache-2.0
2,798
[ "VisIt" ]
fb7dfbf0348217c2db21d5161af88d532ccdc408eb0a91626b553e5597c3514c
# -*- 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_data_catalog.py
Python
apache-2.0
296,123
[ "Octopus" ]
b7c1ea950232098b9e067aaff2465052fc909d1b9e6fb12f59e5f1cc7c9f99c7
#!/usr/bin/env python3 # Copyright (C) 2013,2014,2018-2019 The ESPResSo project # Copyright (C) 2012 Olaf Lenz # # 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, ei...
KaiSzuttor/espresso
src/config/gen_sampleconfig.py
Python
gpl-3.0
1,753
[ "ESPResSo" ]
faccec11a25c7578940527465a5b6ce15c36e2f830de869dd2d49d622fde70b8
from pyml.cluster.base import ClusterBase from pyml.utils import set_seed import warnings class KMeans(ClusterBase): def __init__(self, k=3, initialisation='Forgy', max_iterations=100, min_change=1, seed=None, norm='l1'): """ KMeans implementation :type k: int :t...
gf712/PyML
pyml/cluster/kmeans.py
Python
mit
6,082
[ "Gaussian" ]
e44c3e8cb17cede9c3654c218801d4200f3af16971222eb16b2cd0cc6496bf66
import os from ase import Atom, Atoms from ase.io import PickleTrajectory co = Atoms([Atom('C', (0, 0, 0)), Atom('O', (0, 0, 1.2))]) traj = PickleTrajectory('1.traj', 'w', co) for i in range(5): co.positions[:, 2] += 0.1 traj.write() del traj traj = PickleTrajectory('1.traj', 'a') co = traj[-1] pri...
slabanja/ase
ase/test/trajectory.py
Python
gpl-2.0
1,075
[ "ASE" ]
ff0063bd6714448cbaa1e4719030891c41b6f69742128a74f70211251b65b567
#!/usr/bin/env python import vtk from vtk.test import Testing from vtk.util.misc import vtkGetDataRoot VTK_DATA_ROOT = vtkGetDataRoot() # Remove cullers so single vertex will render ren1 = vtk.vtkRenderer() ren1.GetCullers().RemoveAllItems() renWin = vtk.vtkRenderWindow() renWin.AddRenderer(ren1) iren = vtk.vtkRenderW...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Common/DataModel/Testing/Python/TestStructuredGrid.py
Python
gpl-3.0
5,545
[ "VTK" ]
4f20940f0c79be310040e4b97038a8475bec3e19a7c327a0ae8091a08fa75183
# Andrew Miller <amiller@cs.ucf.edu> 2011 # # BlockPlayer - 3D model reconstruction using the Lattice-First algorithm # See: # "Interactive 3D Model Acquisition and Tracking of Building Block Structures" # Andrew Miller, Brandyn White, Emiko Charbonneau, Zach Kanzler, and Joseph J. LaViola Jr. # IEEE VR 2012,...
amiller/blockplayer
blockplayer/grid.py
Python
mpl-2.0
9,344
[ "Mayavi" ]
68e1f5d23ea86fe8b96f88e2327bcc41bab4d773b6f3c8572fa45906b1326bc8
""" ======================================================== Gaussian process regression (GPR) on Mauna Loa CO2 data. ======================================================== This example is based on Section 5.4.3 of "Gaussian Processes for Machine Learning" [RW2006]. It illustrates an example of complex kernel engine...
glemaitre/scikit-learn
examples/gaussian_process/plot_gpr_co2.py
Python
bsd-3-clause
6,373
[ "Gaussian" ]
434fb758ab358afed3acfe0697cfa89f6c00bdf750c7a718e3ba7ecadd10ce4b
from coalib.bearlib.abstractions.Linter import linter from dependency_management.requirements.DistributionRequirement import ( DistributionRequirement) @linter(executable='verilator', output_format='regex', use_stderr=True, output_regex=r'\%(?:(?P<severity>Error|Warning.*?).*?):' ...
gs0510/coala-bears
bears/verilog/VerilogLintBear.py
Python
agpl-3.0
1,483
[ "VisIt" ]
0006f720ed89ba5d97fcbe4a766be75817cb3acfd5c5b9bc4c16808cdf3b3878
#!/usr/bin/env python """\ py.cleanup [PATH] ... Delete typical python development related files recursively under the specified PATH (which defaults to the current working directory). Don't follow links and don't recurse into directories with a dot. Optionally remove setup.py related files and empty directories. "...
blindroot/pycmd
pycmd/pycleanup.py
Python
mit
3,617
[ "VisIt" ]
e7d41b8190179ae1b0e1f533c65d8c74dfdb54b13ac907e8a5bd74fc9f66ed6d
#!/usr/bin/env python # # Copyright (C) 2011-2012 ABINIT Group (Yann Pouillon) # # This file is part of the ABINIT software package. For license information, # please see the COPYING file in the top-level directory of the ABINIT source # distribution. # from time import gmtime,strftime import commands import os impor...
qsnake/abinit
util/maintainers/check-build-refs.py
Python
gpl-3.0
1,788
[ "ABINIT" ]
8ec0513bfa0c5a36825a69e837fa8fbcd017965f00dd430b9b3f44e93ea8f75b
#! /usr/bin/env python3 # -*- 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 requi...
googleapis/python-spanner
scripts/fixup_spanner_admin_instance_v1_keywords.py
Python
apache-2.0
6,522
[ "VisIt" ]
0bdbb8ac2427cc89c9325eb17cef90fd23c6847f55ec6c2f731454f38f64b668
# Copyright 2017 Canonical Ltd. # Licensed under the LGPLv3, see LICENCE file for details. from unittest import TestCase import macaroonbakery.httpbakery as httpbakery import requests from mock import patch from httmock import HTTMock, response, urlmatch ID_PATH = 'http://example.com/someprotecteurl' json_macaroon ...
go-macaroon-bakery/py-macaroon-bakery
macaroonbakery/tests/test_bakery.py
Python
lgpl-3.0
9,725
[ "VisIt" ]
a8705dd2dc7408d3a54218fae91ca944d3996d0fa86f72e78d351ba002157d81
#!/usr/bin/env python """ This script drives an NWChem calculation given a generic QM specification """ import json import os import pint from run import * CRDPARAMS = "nwchem.crdparams" class QMMMRunner(QMRunner): def _geom_block(self): if not os.path.isfile(CRDPARAMS): raise IOError('Requi...
molecular-toolkit/chemistry-docker-images
makefiles/buildfiles/nwchem/runqmmm.py
Python
apache-2.0
650
[ "NWChem" ]
4d6c7dfedbf4c2f39f428cd684b94399347d64d7a0d86cce9f33c9365c5f9196
# # -*- coding: utf-8 -*- # # (C) Copyright 2016 Karellen, Inc. (http://karellen.co/) # # 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...
karellen/karellen-sqlite
build.py
Python
apache-2.0
2,363
[ "VisIt" ]
31f5e0b8b9efc74d35009f5e1ce5e8e4df7de56580bd48cda052a4490606765f
# -*- coding: utf-8 -*- """ Subraph centrality and communicability betweenness. """ # Copyright (C) 2011 by # Aric Hagberg <hagberg@lanl.gov> # Dan Schult <dschult@colgate.edu> # Pieter Swart <swart@lanl.gov> # All rights reserved. # BSD license. import networkx as nx from networkx.utils import * __au...
kenshay/ImageScript
ProgramData/SystemFiles/Python/Lib/site-packages/networkx/algorithms/centrality/subgraph_alg.py
Python
gpl-3.0
9,596
[ "Desmond" ]
4c7980c1647f02359a0452f8d1e0611451e23d415ebb8646485858c83cc70242
""" ProxyRenewalAgent keeps the proxy repository clean. .. literalinclude:: ../ConfigTemplate.cfg :start-after: ##BEGIN ProxyRenewalAgent :end-before: ##END :dedent: 2 :caption: ProxyRenewalAgent options """ import concurrent.futures from DIRAC import S_OK from DIRAC.Core.Base.AgentModul...
DIRACGrid/DIRAC
src/DIRAC/FrameworkSystem/Agent/ProxyRenewalAgent.py
Python
gpl-3.0
3,325
[ "DIRAC" ]
cb49654656f23b6953953deeebd2aceacd6a0298495914fa7a5ea4ff5f7f342c
# coding: utf-8 # Copyright (c) Pymatgen Development Team. # Distributed under the terms of the MIT License. from __future__ import division, unicode_literals from pymatgen.io.cif import CifParser from pymatgen.analysis.magnetism.jahnteller import * import unittest test_dir = os.path.join(os.path.dirname(__file__), ...
nisse3000/pymatgen
pymatgen/analysis/magnetism/tests/test_jahnteller.py
Python
mit
5,117
[ "pymatgen" ]
63b4533ebb5f4f89abc08abcdd9d4d4f46ac62d97e2d98d1ac4703d88583f5d9
import time #from telegramFormat import * from api_definitions import * import itertools import struct import io import logging logging.basicConfig(level=logging.DEBUG) logger = logging.getLogger(__name__) # #file handler for logs # handler = logging.FileHandler('commands.log') # handler.setLevel(logging.INFO) # # c...
bojandjukic1/SAP_CORK
Coffee_Machine/CGI Call and Script - New/commands.py
Python
gpl-3.0
24,743
[ "ESPResSo" ]
a14c5cab31ed48904defeef916769f5b0e8693fe71facd168696e5657102e213
import tweepy import json import cPickle import zmq # Authentication details. To obtain these visit dev.twitter.com consumer_key = 'PUpKEozSrCV5x06mc1uNDMgMN' consumer_secret = 'q0W7N8wDCD41O9pPu8yej42BnJ138Gwpl2wQsB5wvxLqvciKQy' access_token = '1315274378-RxFpa0iNmDucPaxMCENLaeeky9k4rL9JN0Zjn60' access_token_secret ...
lnhubbell/Quarium
twitter_stream.py
Python
mit
2,221
[ "VisIt" ]
2bd98c6d96fb2c12e097b3b3b7546aa01bd0e78d7acf0050ff62b19fe73a2d13
# -*- coding: utf-8 -*- """This module contains the controller classes of the application.""" # symbols which are imported by "from mse.controllers import *" __all__ = ['Root'] # standard library imports import os.path # import logging # log = logging.getLogger('mse.controllers') # third-party imports from cherrypy...
jinmingda/MicroorganismSearchEngine
mse/controllers.py
Python
mit
10,790
[ "VisIt" ]
d119bb7db289c137eeee9a90632f14cdee783d326139d5858517465746f71044
# -*- coding:utf-8 -*- # # Compute the normal and the gaussian curvature of a mesh # # Based on : # Discrete Differential-Geometry Operators for Triangulated 2-Manifolds # Mark Meyer, Mathieu Desbrun, Peter Schröder, Alan H. Barr # VisMath '02, Berlin (Germany) # External dependencies import math import nu...
microy/PyMeshToolkit
MeshToolkit/Core/Curvature.py
Python
mit
8,082
[ "Gaussian" ]
e95a779d0a3747f8ed1b9e5f028fbae51297037d695aa287a6ceebd16261789b
#!/usr/bin/env python #JSON {"lot": "UKS/6-31G*", #JSON "scf": "ODASCFSolver", #JSON "linalg": "CholeskyLinalgFactory", #JSON "difficulty": 3, #JSON "description": "Basic UKS DFT example with LDA exhange-correlation functional (Dirac+VWN)"} from horton import * # Load the coordinates from file. # Use the XYZ file...
eustislab/horton
data/examples/hf_dft/uks_methyl_lda.py
Python
gpl-3.0
2,833
[ "DIRAC", "Gaussian" ]
75590f6323cf066ea4efafe86698f69b6f594a21176b754db054e338a6426736
#### PATTERN | WEB ################################################################################# # Copyright (c) 2010 University of Antwerp, Belgium # Author: Tom De Smedt <tom@organisms.be> # License: BSD (see LICENSE.txt for details). # http://www.clips.ua.ac.be/pages/pattern ####################################...
decebel/dataAtom_alpha
bin/plug/py/external/pattern/web/__init__.py
Python
apache-2.0
115,157
[ "VisIt" ]
1053a318d34d19587cab39fc03032149511425bb8547a284dcd77c3b67c9e640
from dnfpy.cellular.hardlib import HardLib from dnfpy.core.map2D import Map2D from dnfpy.cellular.nSpikeConvolution import normalizeIntensity,normalizeProba import numpy as np import random import sys class Rsdnf2LayerConvolution(Map2D): class Params: #enum CellRsdnf_Params {NB_SPIKE=0,PROBA=1,PRECISIO...
bchappet/dnfpy
src/dnfpy/cellular/rsdnf2LayerConvolution.py
Python
gpl-2.0
5,576
[ "NEURON" ]
955a848a56a1ac255a3654018963a7bc28c37c2b645efe237f49b08e35cef50c
#!/usr/bin/env python # Python example script that uses the vtkMatlabEngineInterface to perform # a calculation (sin(x)^2 + cos(x)^2 = 1) on VTK array data, and pass the # result back to VTK. # VTK must be built with VTK_USE_MATLAB_MEX turned on for this example to work! from __future__ import print_function from vtk...
HopeFOAM/HopeFOAM
ThirdParty-0.1/ParaView-5.0.1/VTK/Examples/Infovis/Python/Matlab_engine_interface.py
Python
gpl-3.0
1,277
[ "VTK" ]
b857d2a54e38263c7fd53aba1f6a012ce856a2fb72926ccbb9327b9848241535
#!/usr/bin/env python ################################################################################ # Copyright (C) 2014, 2015 GenAP, McGill University and Genome Quebec Innovation Centre # # This file is part of MUGQIC Pipelines. # # MUGQIC Pipelines is free software: you can redistribute it and/or modify # it und...
ccmbioinfo/mugqic_pipelines
pipelines/illumina_run_processing/illumina_run_processing.py
Python
lgpl-3.0
46,253
[ "BLAST" ]
22a76e5f34c0e4e9d9daac29b09f46b791cd9f84af2170da6dfc6cebda5314c5
# Principal Component Analysis Code : from numpy import mean,cov,double,cumsum,dot,linalg,array,rank,size,flipud from pylab import * import numpy as np import matplotlib.pyplot as pp #from enthought.mayavi import mlab import scipy.ndimage as ni import roslib; roslib.load_manifest('sandbox_tapo_darpa_m3') import ro...
tapomayukh/projects_in_python
classification/Classification_with_kNN/Single_Contact_Classification/Time_Window/test10_cross_validate_objects_800ms.py
Python
mit
4,257
[ "Mayavi" ]
e8158ce12cf51ffd0f7e026c4081d57189b89751320c9cbce5eb1791c89e61b8
from __future__ import division import numpy as np import matplotlib.pyplot as plt Vth = 15 # mV w = 2 # ms tau = 10 # ms def calc_error(isi): """ Calculate approximation error for a given target inter-spike interval. """ # input current required for LIF to spike at t = isi current = Vth/(...
achilleas-k/brian-scripts
thesis_stuff/reldiff.py
Python
apache-2.0
2,203
[ "NEURON" ]
2133384385e55a405966ad99a0bc75c421bcd2b4a3659bcc680f992855d86c9d
#!/usr/bin/env python """ A linting tool to check if templates are safe """ from __future__ import print_function import argparse import ast from enum import Enum import os import re import sys import textwrap class StringLines(object): """ StringLines provides utility methods to work with a string in terms o...
Learningtribes/edx-platform
scripts/safe_template_linter.py
Python
agpl-3.0
101,020
[ "VisIt" ]
1b6f1111fce8bb6cefbcc3d3f94c341a16bbeebcf70d0bb59948ab4b0c6ec37d
#******************************************************************* # * File: merge.py # * Description: # * Author: HarshaRani # * E-mail: hrani@ncbs.res.in # ********************************************************************/ # ***********************************************************...
subhacom/moose-core
python/moose/merge/merge.py
Python
gpl-3.0
28,816
[ "MOOSE" ]
7cf8fccedd6519f0fc0434901d1de5ebbae4ab7333977699c17b1a1a888d9ac8
# Copyright (c) 2014. Mount Sinai School of Medicine # # 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...
cpcloud/pepdata
setup.py
Python
apache-2.0
2,182
[ "Biopython" ]
0b5dbbd2d97b3afd07373dc5f18b6bbeac5941542b28204687aeeeca9d23ffbb
#!/usr/bin/env python3 # INSert membrANE # A simple, versatile tool for building coarse-grained simulation systems # Copyright (C) 2017 Tsjerk A. Wassenaar and contributors # # 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 ...
Tsjerk/Insane
tests/utils.py
Python
gpl-2.0
12,460
[ "MDAnalysis" ]
905a0dd31bc13a0e32969c491ed11f62c254921c2ae46964e660baa587c2a9d3
# Licensed to the Apache Software Foundation (ASF) under one # or more contributor license agreements. See the NOTICE file # distributed with this work for additional information # regarding copyright ownership. The ASF licenses this file # to you under the Apache License, Version 2.0 (the # "License"); you may not u...
zhouyao1994/incubator-superset
superset/viz.py
Python
apache-2.0
91,799
[ "VisIt" ]
0bb53b189dda45c4c4c74b10a21c0234d50515ee980e6a6a28009812711d5f71
#!/usr/bin/python # -*- coding: utf-8 -*- # Copyright 2012 The Plaso Project Authors. # Please see the AUTHORS file for details on individual 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 Lic...
iwm911/plaso
plaso/parsers/sqlite_plugins/chrome_cookies.py
Python
apache-2.0
5,703
[ "VisIt" ]
f9f05c4acb89a831fd24a9c2b0fe3bf34fd254280d57c0ef4fca7df5b5db10dd
"""Contains the base class for the Snux driver overlay. This class overlays an existing WPC-compatible platform interface to work with Mark Sunnucks's System 11 interface board. """ # snux.py # Mission Pinball Framework # Written by Brian Madden & Gabe Knuth # Released under the MIT License. (See license info at the ...
spierepf/mpf
mpf/platform/snux.py
Python
mit
14,196
[ "Brian" ]
4c65c5f8082fbaa3a7893b47d7f444e41b0d9a1cf9889d558de7c217f1df9831
############################################################################### # Copyright 2017-2021 - Climate Research Division # Environment and Climate Change Canada # # This file is part of the "fstd2nc" package. # # "fstd2nc" is free software: you can redistribute it and/or modify # it under...
neishm/fstd2nc
fstd2nc/mixins/netcdf.py
Python
lgpl-3.0
18,945
[ "NetCDF" ]
44129eddd74e4aa92c2f813d63c7c82fd3188e06d5b4cc3a4826ed176f2b643e
""" There are two kinds of Repositories in PyChemia Structure Repositories where many structures are stored Execution Repositories where the out of every calculation is stored Each structure contains some metadata that is accessible with the StructureEntry object Also each calculation has it own metadata accessible ...
MaterialsDiscovery/PyChemia
pychemia/db/repo.py
Python
mit
16,947
[ "pymatgen" ]
eb549a37fb5921231e8655e063ab0d05a7c2a27302c9a03db052f12e79805fb0
# class generated by DeVIDE::createDeVIDEModuleFromVTKObject from module_kits.vtk_kit.mixins import SimpleVTKClassModuleBase import vtk class vtkIVWriter(SimpleVTKClassModuleBase): def __init__(self, module_manager): SimpleVTKClassModuleBase.__init__( self, module_manager, vtk.vtkIV...
nagyistoce/devide
modules/vtk_basic/vtkIVWriter.py
Python
bsd-3-clause
460
[ "VTK" ]
d3a0abf956db319dbb422dc6294cc0215d54b786b16b70cda735ea8b4ced13ab
import random from main import Game import game import objects import libtcodpy as libtcod import items from main import game_instance class Monster(object): def init(self,*a): pass def take_turn(self): pass def load_data(self, data): for k,v in data.items(): setattr(self, k,v) return self class BasicMonst...
fiddlerwoaroof/yinjar
monsters.py
Python
bsd-3-clause
7,779
[ "Amber" ]
3a0c3ab5226eb569b40985f048a5ceac88937520e5f4d2a794d9ce387d7ec756
#!/usr/bin/env python # Copyright 2014-2021 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...
sunqm/pyscf
pyscf/pbc/x2c/sfx2c1e.py
Python
apache-2.0
11,486
[ "PySCF" ]
31043fff7ad310df88742821b7b8bb6bc5635b99288afe3f54c878300ff68c86
# -*- coding: utf-8 -*- # @author: Thomas Anderson ################### # run_expt.py # ################### # Thomas Anderson # ################### # 29/01/2014 # ################### # Last updated: # # 11/03/2014 # ################### ########################## # Python QR Code Project # # ----------...
Driminary/python-qr-project
source/run_expt.py
Python
mit
5,005
[ "Gaussian" ]
a48053c02cc7bda1a158c5f91d3ee01254bd78336ec9408effef9d0c3933eca2
#!/usr/bin/python import os, sys, inspect, subprocess, tempfile # Include the parent directory in the search path. cmd_folder = os.path.abspath(os.path.split(inspect.getfile( inspect.currentframe() ))[0]) if cmd_folder not in sys.path: sys.path.insert(0, cmd_folder) from common import dbConn, DEFAULT_TAG, BACKUP...
eldering/autoanalyst
code_analyzer/analyzer.py
Python
mit
26,667
[ "VisIt" ]
90e18d26a5658cdc46915932ac301a41141c26565401e9bf003afe020ebfc00d
# # @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/response/scf_products.py
Python
lgpl-3.0
21,923
[ "Psi4" ]
d06634059cddc309e2a976f03130fe6eeff93d7b708c364697f6636d9f09790b