hartree-cli 0.2.3

Command-line driver for hartree: an XYZ file plus a basis and method, to an SCF energy.
Documentation 
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[package]
name = "hartree-cli"
version.workspace = true
edition.workspace = true
license.workspace = true
authors.workspace = true
rust-version.workspace = true
description = "Command-line driver for hartree: an XYZ file plus a basis and method, to an SCF energy."
repository.workspace = true
keywords = ["chemistry", "quantum", "hartree-fock", "ccsd", "cli"]
categories = ["command-line-utilities", "science"]

[[bin]]
name = "hartree"
path = "src/main.rs"

[dependencies]
hartree.workspace = true
serde = { workspace = true }
serde_json.workspace = true

[dev-dependencies]
serde = { workspace = true }
serde_json.workspace = true
hartree.workspace = true