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Quantum chemistry written with OCaml
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2018-05-31 10:47:31 +02:00
Basis Documentation 2018-05-30 09:46:57 +02:00
HartreeFock Printing of HF MOs 2018-05-30 20:16:18 +02:00
Nuclei Documentation 2018-03-03 22:13:14 +01:00
Utils Add DIIS.mli 2018-05-31 10:47:31 +02:00
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Requirements
------------

* BLAS/LAPACK : Linear algebra
* LaCaml : LAPACK OCaml interface
* Zarith : Arbitrary-precision integers
* gmp : GNU Multiple Precision arithmetic library
* odoc-ltxhtml : https://github.com/akabe/odoc-ltxhtml