There is a newer version of the record available.

Published July 4, 2026 | Version v6

Input files used for the tutorials of the calorine package

  • 1. ROR icon Chalmers University of Technology

Description

This record contains input files that are used in the tutorial notebooks included in the documentation of the calorine package

Files

ase_calculators_dipole.zip

Files (926.4 MB)

Name Size
md5:07c0696b5e4df7f669c714c49ccb890a
131.2 kB Preview Download
md5:b87a8c2462209cc723b77c8955c913cd
29.7 MB Preview Download
md5:595922425c613c877b6f30207f93ad45
6.4 MB Preview Download
md5:76a98ce37aa503552a23883c4054f64a
324 Bytes Download
md5:8efcc3d5fe9030510c8caa5d78541dc6
702.8 MB Preview Download
md5:96db7f89533b9b1c7a1e921b0fcce022
35.4 MB Preview Download
md5:6196d0146f2314249bc2c8b9b743cad5
117.0 kB Preview Download
md5:0f1d8e88f399c60a7796404bcf9c73f5
163 Bytes Download
md5:a67845edc560fcb3d7e253fc82c5f9a7
73.0 kB Download
md5:e40bea542dfe7edac8c8693686457be8
37.1 kB Preview Download
md5:dfa2e56a302ba3370e42ad06752d2578
15.6 MB Preview Download
md5:e9827f8533f946f3430a2e15b71fc55a
68.6 MB Preview Download
md5:5caed2ddc59ce3ec2353e64544dd1ba8
56.7 MB Preview Download
md5:436774721999297f2fbd21198b827686
3.1 MB Preview Download
md5:b51e58dc21bd62857ad6dab6ededa93c
7.7 MB Preview Download

Additional details

Related works

Is derived from
Software: 10.5281/zenodo.995666 (DOI)
Dataset: 10.5281/zenodo.8014365 (DOI)
Dataset: 10.5281/zenodo.7811021 (DOI)
Dataset: 10.5281/zenodo.10255268 (DOI)
Is supplement to
Software: 10.5281/zenodo.7919206 (DOI)

Software

Repository URL
https://gitlab.com/materials-modeling/calorine/
Programming language
Python
Development Status
Active