mdav2 / Lints.jl

Julia interface to LibInt

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Lints.jl

Julia interface to LibInt2. Very strong (read copy-paste) influence from libmints (Psi4 internal).

The low level wrapper is automatically generated by Clang.jl, and can thus be reconstructed with minimal effort. Higher level functionality, such as BasisSet and Molecule objects, are somewhat more difficult to construct.

To use this library

Once it is complete, Pkg.add Lints should work fine.

To use these wrappers around a custom libints distribution (not recommended)

follow the build intstructions from evaleev/libint.

make export

Copy tarball to destination, unzip tarball. Enable shared object manually in CMakeLists. Follow build instructions.

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Julia interface to LibInt


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