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ZTA-analysis-tools 0.1.0

“A small package containing tools needed to perform the LDAZTA analysis for my project. Packaged for consistency.”

Module built on the numeric Python stackImports Python's pickle serialization module

SHA-256a46b6c892f91919dd6cad4a5aeb63aab92207a2d43ae96e8043d8563023d9f1b

URLhttps://files.pythonhosted.org/packages/a6/b1/5ba0e2736fb59a4609fd2285d83f235a460107371df2c73744d2844ff206/zta_analysis_tools-0.1.0-py3-none-any.whl

MaleculeH₂(Db₂F)

Evidence

Module built on the numeric Python stack ZAT.py · lines 1–6

1import os.path 
2import numpy as np 
3import scipy as sp 
4import pickle 
5## Root finding functions 
6def secant_method(function, guess1:float, print_opt:bool, criterion:float=1e-6, error_track:bool=Fa …

Python file opened for write or append ZAT.py · lines 25–34

46… on(x2)-function(x1))
  
  if print_opt ==True:
      with open("secant_error.txt", "a") as f:  
          print("Iteration, x1, x2, f(x1), f(x2), error", file=f)
30
⋯4 lines

Loads an object with pickle.load() ZAT.py · lines 262–268

17… _path = get_exact_file_paths(molecule)
  with open(vxc_path, 'rb') as xc_file:
      v_xc = pickle.load(xc_file)
  with open(vs_path, 'rb') as vs_file:
      v_s = pickle.load(vs_file)
267
  return v_xc, v_s 

PyPI package declares name, version, summary METADATA · lines 1–9

1Metadata-Version: 2.4
2Name: ZTA_analysis_tools
3Version: 0.1.0
4Summary: A small package containing tools needed to perform the LDAZTA analysis for my project. Packaged for consistency.
5Author-email: "Anthony R. Osborne" <[email protected]>
6License-Expression: MIT
7Classifier: Programming Language :: Python :: 3
8Classifier: Operating System :: OS Independent
9Requires-Python: >=3.9

No evidence locations were recorded for this file. Raw result