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[readme] add mention of Pyscf
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jhrmnn committed Feb 20, 2020
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Expand Up @@ -17,7 +17,7 @@ The package implements a single optimization algorithm, which is an amalgam of s

Several desirable features are missing at the moment but planned, some of them being actively worked on (help is always welcome): [crystal geometries](https://github.com/jhrmnn/pyberny/issues/5)[coordinate constraints](https://github.com/jhrmnn/pyberny/issues/14), [coordinate weighting](https://github.com/jhrmnn/pyberny/issues/32), [transition state search](https://github.com/jhrmnn/pyberny/issues/4).

Berny is available in [ASE](https://wiki.fysik.dtu.dk/ase/dev/ase/optimize.html?highlight=berny#pyberny).
Berny is available in [PySCF](https://sunqm.github.io/pyscf/geomopt.html#pyberny) and [ASE](https://wiki.fysik.dtu.dk/ase/dev/ase/optimize.html?highlight=berny#pyberny).

## Installing

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