Skip to main content

No project description provided

Project description

cp2k-2-deepmdkit (c2d): A comprehensive tool for converting cp2k output to DeepMD-kit input.

This package includes a set of utilities for processing CP2K output files into a format compatible with DeepMD-kit. It provides several command-line tools for coordinate extraction, force and energy data processing, box dimensions extraction, and file format conversion.

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

cp2k_2_deepmdkit-1.0.1.tar.gz (4.4 kB view details)

Uploaded Source

Built Distribution

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

cp2k_2_deepmdkit-1.0.1-py3-none-any.whl (7.2 kB view details)

Uploaded Python 3

File details

Details for the file cp2k_2_deepmdkit-1.0.1.tar.gz.

File metadata

  • Download URL: cp2k_2_deepmdkit-1.0.1.tar.gz
  • Upload date:
  • Size: 4.4 kB
  • Tags: Source
  • Uploaded using Trusted Publishing? No
  • Uploaded via: twine/5.1.1 CPython/3.12.5

File hashes

Hashes for cp2k_2_deepmdkit-1.0.1.tar.gz
Algorithm Hash digest
SHA256 e8d01a276a3ace9522b9746c2aa8b2140751c0f1b81f995ac210f1eb873f82c0
MD5 f48c01e09fbaf00a2ea2d7f4b3bb48f4
BLAKE2b-256 055787b8202524bfb0473a248951577b69b123b3eb42ffd854616df2f94b71ba

See more details on using hashes here.

File details

Details for the file cp2k_2_deepmdkit-1.0.1-py3-none-any.whl.

File metadata

File hashes

Hashes for cp2k_2_deepmdkit-1.0.1-py3-none-any.whl
Algorithm Hash digest
SHA256 83bc8c27e7fac0eb19a43c723b077e3d31137294970b6118ea70ae708368bdee
MD5 1d86cbd6e54b8adb9cc1967bdd74431d
BLAKE2b-256 61daf356c576afe28fde09facfe9bd680feb0a3173353751ec2194f2b11b5724

See more details on using hashes here.

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