WebNov 26, 2024 · from pathlib import Path from typing import Union, Sequence import numpy as np try: from numpy. typing import ArrayLike except ImportError: ArrayLike = Union [Sequence [float], Sequence [Sequence [float]], Sequence [np. ndarray], np. ndarray] # type: ignore from pymatgen. core. periodic_table import Element, Species, … WebMay 8, 2016 · I'm having this issue running a script and it looks like it missed some dependencies, but as you can see below. After installing the missing libraries, it doesn't make any sense. [ericfoss@maverick-
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Webpymatgen namespace pymatgen.ext namespace pymatgen.ext.matproj module Edit on GitHub pymatgen.ext.matproj module This module provides classes to interface with the Materials Project REST API v2 to enable the creation of data structures and pymatgen objects using Materials Project data. WebCreate a Lattice using unit cell lengths (in Angstrom) and angles (in degrees). Parameters: a ( float) – a lattice parameter. b ( float) – b lattice parameter. c ( float) – c lattice parameter. alpha ( float) – alpha angle in degrees. beta ( float) – beta angle in degrees. gamma ( float) – gamma angle in degrees. fluid charts download
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Webpymatgen.analysis.diffraction.xrd module This module implements an XRD pattern calculator. class XRDCalculator(wavelength='CuKa', symprec: float = 0, debye_waller_factors=None) [source] Bases: AbstractDiffractionPatternCalculator Computes the XRD pattern of a crystal structure. WebSep 3, 2024 · Are you using a virtual environment? Have you installed the modules in the same environment where you launched the script? Is possible that Anaconda create automatically a venv when you create your project. WebTry changing the default parameters - see what you can and cannot do (for instance, look at varying the charge and the spin multiplicity). ... from pymatgen.core import Lattice, … greenes pharmacy steele mo