Yaiv

Latest version: v0.2.1

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0.2.1

Fix minor bug since `np.float` no longer exists in current numpy versions.

0.2.0

*(New features)*

Convergence module
A variety of tools for the purpose of inspecting the convergence of different calculations by plotting the results in a digestible way. Currently supports:
- **Self-consistent calculations:** Given a folder with the quantum-espresso outputs it gives tools for the convergence analysis of various quantities respect to the cutoff, Kgrid and smearing.
- **DFPT Phonons:** Like the self-consisten convergence analyzer (also respect to cutoff, Kgrid and smeargin). But for the phonon frequencies.
- **Wannierizations:** Tools for the convergence analysis of the Wannier minimizations done with wannier90.

Utils module
- Grep the **total energy** from a Quantum Espresso ph.x output.

0.1.0

*(Added features)*
Plot module
- **Phonon spectra** from Quantum Espresso.
- Plotting different phonon spectra. It can highlight the DFPT phonons from which the whole spectrum is interpolated.
Utils module
- **Grepping** tools (either by calling the function or using the **file class**):
- Addition of the **class *"file"*** to handle data scraping.
- Grep the **phonon grid** from a Quantum Espresso ph.x output.
- **Transforming** tools (mainly usefull changes of coordinates):
- **K_basis**: Obtaining the reciprocal lattice vectors.
- **cartesian2cryst**: From cartesian to crystal coordinates.
- **cryst2cartesian**: From crystal to cartesian coordinates.
- **cartesian2spherical**: From cartesian to spherical coordinates.
- **cryst2spherical**: From crystal to spherical coordinates.

0.0.1

*(Zero release with basic functionalities for plotting bandstructures)*
Plot module
- **Electronic band structures** of Quantum Espresso, Vasp, Wannier90 and WannierTools.
- Plotting results of different codes against each other.
Utils module
- **Grepping the number of electrons** from Quantum Espresso and VASP outputs.
- **Grepping the Fermi level**.
- **Grep the lattice parameters**.
- **Grep the path** from a Quantum Espresso bands.pwi input.
- **Grep the path and HSP labels** from a KPATH in the [TQC website](https://www.topologicalquantumchemistry.fr/#/) format. (Enter in any compound and click in the "Download KPATH" link).

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