Skip to main content

This program plots chemical pressures in crystal compounds using pyvista.

Project description

This code plots chemical pressures in crystals. It will work with a maximum of 4 distinct atoms by default, although this can be changed. Black lobes represent negative chemical pressures while white lobes represent positive chemical pressures. The code requires a optimized crystal strucutre and the following files; a .xyz file, a coeff file, a cell file and a geo file.

For help with this code contact the Fredrickson Group at the University of Wisconsin Madison

Project details


Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

chemical_pressure_plotter-1.1.tar.gz (2.1 kB view details)

Uploaded Source

Built Distribution

If you're not sure about the file name format, learn more about wheel file names.

chemical_pressure_plotter-1.1-py3-none-any.whl (2.5 kB view details)

Uploaded Python 3

File details

Details for the file chemical_pressure_plotter-1.1.tar.gz.

File metadata

  • Download URL: chemical_pressure_plotter-1.1.tar.gz
  • Upload date:
  • Size: 2.1 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? Yes
  • Uploaded via: twine/6.1.0 CPython/3.13.12

File hashes

Hashes for chemical_pressure_plotter-1.1.tar.gz
Algorithm Hash digest
SHA256 585c013f346bd2e6095d31959964cc90b0a30d1c346aaaed2fcff9baae57b252
MD5 9d0927fb6ab706ca720ef30e94ba367d
BLAKE2b-256 f8737b5b64f724171e7a0b3e1ec73c7e8a2521a1ce2f99c162f34e058f4c4288

See more details on using hashes here.

Provenance

The following attestation bundles were made for chemical_pressure_plotter-1.1.tar.gz:

Publisher: python-publish.yml on ajsmits2/Chemical-Pressure

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

File details

Details for the file chemical_pressure_plotter-1.1-py3-none-any.whl.

File metadata

File hashes

Hashes for chemical_pressure_plotter-1.1-py3-none-any.whl
Algorithm Hash digest
SHA256 87b6db59412f0216049444033e523d0a5b2a85004f4e48a0417321c98553e317
MD5 cf62204ea0424dbebe84674a84339056
BLAKE2b-256 f17167380e51703c1306fa25130b632c35f02b197094e47cc2fd32e1f76ca02b

See more details on using hashes here.

Provenance

The following attestation bundles were made for chemical_pressure_plotter-1.1-py3-none-any.whl:

Publisher: python-publish.yml on ajsmits2/Chemical-Pressure

Attestations: Values shown here reflect the state when the release was signed and may no longer be current.

Supported by

AWS Cloud computing and Security Sponsor Datadog Monitoring Depot Continuous Integration Fastly CDN Google Download Analytics Pingdom Monitoring Sentry Error logging StatusPage Status page