libcint-0.5.0
Platform
- x86_64-unknown-linux-gnu
Feature flags

docs.rs

Rust

libcint 0.5.0

FFI binding and GTO wrapper for libcint (C library)

Crate
Source
Builds
Feature flags

..
generate_cecp_header.py
generate_libcint_header.py
mol-build.ipynb
pyscf_c10h22_qzvp_gto.ipynb
pyscf_c10h22_qzvp_gto_complex.ipynb
pyscf_cross_integral.ipynb
pyscf_h2o_rhf.py
pyscf_h2o_tzvp.ipynb
pyscf_h2o_tzvp_grids.ipynb
pyscf_h2o_tzvp_row_major.ipynb
pyscf_sb2me4_pvtz.ipynb
pyscf_sb2me4_pvtz_gto.ipynb
pyscf_sb2me4_pvtz_gto_complex.ipynb
pyscf_special_change.ipynb
pyscf_special_na_ecpso.ipynb