The version of the code that you pointed to, Nicola, implements routines for 1D-RISM, 3D-RISM, Laue-RISM and ESM-RISM.
Stephen -- Stephen Weitzner, PhD Postdoctoral Research Scientist Quantum Simulations Group Lawrence Livermore National Laboratory T : (925) 422-4449 E : [email protected] On 4/8/20, 9:39 AM, "users on behalf of Nicola Marzari" <[email protected] on behalf of [email protected]> wrote: On 08/04/2020 15:28, Shaofeng Wang wrote: > 3drism-enabled qe Google points to this: https://www.quantum-espresso.org/download (not sure if it's 3D-RISM or 1D-RISM). For solvation and electrolytes, Oliviero Andreussi and some of us develop also quite actively http://www.quantum-environ.org nicola ---------------------------------------------------------------------- Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL Director, National Centre for Competence in Research NCCR MARVEL, EPFL http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
