trexio 2.4.0

TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of providing a reliable and efficient method of storing and exchanging wave function parameters and matrix elements.
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28

[build-dependencies.bindgen]
version = "0.65.1"

[build-dependencies.pkg-config]
version = "0.3.27"

[build-dependencies.serde]
features = ["derive"]
version = "1.0"

[build-dependencies.serde_json]
version = "1.0"

[dependencies]

[lib]
doctest = false

[package]
authors = ["Anthony Scemama <scemama@irsamc.ups-tlse.fr>", "Evgeny Posenitskiy"]
description = "TREXIO is an open-source file format and library developed for the storage and manipulation of data produced by quantum chemistry calculations. It is designed with the goal of providing a reliable and efficient method of storing and exchanging wave function parameters and matrix elements."
edition = "2021"
keywords = ["quantum", "chemistry"]
license = "BSD-3-Clause"
name = "trexio"
readme = "README.md"
repository = "https://github.com/trex-coe/trexio"
version = "2.4.0"