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pyscf[dftd3] replaced in README [ci skip]
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jeanwsr authored and sunqm committed Jul 23, 2023
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Expand Up @@ -23,15 +23,15 @@ Installation

pip install pyscf

* (Optionally) Extensions projects geomopt, dftd3, dmrgscf, doci, icmpspt,
* (Optionally) Extensions projects geomopt, dmrgscf, doci, fciqmc, icmpspt,
properties, semiempirical, shciscf ... (more on https://github.com/pyscf) can
be installed using pip

pip install pyscf[all]

Install an individual extension

pip install pyscf[dftd3]
pip install pyscf[geomopt]

* More details of custom install can be found in
[installation manual](http://pyscf.org/install.html#compiling-from-source-code)
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