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MolSSI-BSE / basis_set_exchange

A repository for quantum chemistry basis sets
https://molssi-bse.github.io/basis_set_exchange/
BSD 3-Clause "New" or "Revised" License
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Pseudopotential Library collections from QMCPACK group #95

Open chrinide opened 5 years ago

chrinide commented 5 years ago

Hi all, There is a community website (https://pseudopotentiallibrary.org/) for pseudopotentials/effective core potentials(CEPP,ccECP,eCEPP), which are especially designed for high accuracy correlation electron calculations(like QMC, Coupled Cluster etc.), These PP/ECP and basis sets have Gamess/Nwchem/Molpro formats in the site, can be also download directly from it's github site (https://github.com/QMCPACK/pseudopotentiallibrary/tree/master/recipes).

Could be these PP/ECP & Basis sets tranfered into BSE(just a data transfer,should be very easy), then more people could know and use them.

bennybp commented 5 years ago

Should be somewhat easy, although it might take a bit to understand the directory structure and naming.