Title: PCMSolver
Type Software Roberto Di Remigio, Luca Frediani, Krzysztof Mozgawa (2014): PCMSolver. Zenodo. Software. https://zenodo.org/record/11910
Links
- Item record in Zenodo
- Digital object URL
Summary
This is the first release of the PCMSolver module. PCMSolver is an API for the polarizable continuum model (PCM) , a continuum solvation model. PCMSolver can be interfaced to a quantum chemistry host program to provide PCM functionality. In the current release the basic features of the PCM are made available:
GePol cavity generator; IEFPCM and CPCM solvers for isotropic uniform dielectrics; flexible Green's function definition for isotropic uniform dielectrics.Full documentation can be found here: http://pcmsolver.github.io/pcmsolver-doc/
More information
- DOI: 10.5281/zenodo.11910
Subjects
- polarizable continuum model
Dates
- Publication date: 2014
- Issued: September 30, 2014
Rights
- https://opensource.org/licenses/LGPL-3.0 GNU Lesser General Public License v3.0 only
- info:eu-repo/semantics/openAccess Open Access
Format
electronic resource
Relateditems
| Description | Item type | Relationship | Uri |
|---|---|---|---|
| IsSupplementTo | https://github.com/PCMSolver/pcmsolver/tree/1.0.0 | ||
| IsSupplementTo | http://pcmsolver.github.io/pcmsolver-doc/ | ||
| IsVersionOf | https://doi.org/10.5281/zenodo.605921 | ||
| IsPartOf | https://zenodo.org/communities/zenodo |