File: index.md

package info (click to toggle)
mctc-lib 0.3.2-1
  • links: PTS, VCS
  • area: main
  • in suites: forky, sid, trixie
  • size: 1,088 kB
  • sloc: f90: 12,894; python: 23; ansic: 15; makefile: 2
file content (17 lines) | stat: -rw-r--r-- 630 bytes parent folder | download | duplicates (2)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
---
title: Formats
---

This library supports reading and writing of the following formats:

- [xyz with extensions](./format-xyz.html)
- [Turbomole's coord](./format-tmol.html)
- [connection table files: molfile, structure data format](./format-ctfile.html)
- [Vasp's POSCAR format](./format-vasp.html)
- [a subset of PDB format](./format-pdb.html)
- [DFTB+ general format](./format-gen.html)
- [Gaussian external format](./format-ein.html)
- [Chemical JSON format](./format-cjson.html)
- [QCSchema JSON format](./format-qcschema.html)
- [FHI-aims geometry.in](./format-aims.html)
- [Q-Chem molecule format](./format-qchem.html)