Siesta

lp:~pablolopez/siesta/psolver

Created by Pablo Lopez on 2019-01-22 and last modified on 2019-04-01

Developer branch in which callings to standard Siesta Poisson solver are switched to that of the BigDFT package.

Users are now able to include implicit solvent effects in their Siesta calculations using the so-called "soft-sphere" model.

As for revision 756, it works for both parallel and serial runs.

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766. By Pablo Lopez on 2019-04-01: Rise of warnings when using slab and molecule shapes.
765. By Pablo Lopez on 2019-03-27: Compatibility with non-orthorombic cell, bug fixes in 2D and bulk systems.
764. By Pablo Lopez on 2019-03-26: New subroutine to allocate solver dictionaries and rise warnings
763. By Pablo Lopez on 2019-03-20: New keywords to manipulate gammaS, alphaS and betaV cavity parameters
762. By Pablo Lopez on 2019-03-19: Small bug fixes and documentation of cavity keywords.
761. By Pablo Lopez on 2019-03-18: New keywords to control the cavity set-up in the soft-sphere model.
760. By Pablo Lopez on 2019-03-18: Insertion of Implicit Solvent calculations
759. By Pablo Lopez on 2019-01-22: Bug fix of paralle/serial compilations
758. By Pablo Lopez on 2019-01-22: Bug fix of paralle/serial compilations
757. By Pablo Lopez on 2019-01-22: Bug fix of paralle/serial compilations

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