Crate rest

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Rust-based Electronic-Structure Tool (REST)

Modules

basis_io 🔒
constants 🔒
ctrl_io 🔒
dft 🔒
geom_io 🔒
initial_guess 🔒
molecule_io 🔒
post_scf_analysis
ri_pt2 🔒
ri_rpa 🔒
scf_io 🔒
utilities 🔒

Structs

SimpleAtomInfo

Statics

GLOBAL 🔒

Functions

fciqmc_dump 🔒
get_vsap
main 🔒
mid_zeff
parse_input 🔒