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Solves one-electron Schrödinger equation, with SLEPc and PETSc
...Program RSchr-5 solves the generalized eigenvalue problem by algorithms implemented in SLEPc amd PETSc libraries. It uses Krylov-Schur algorithm from SLEPc library.
The program is implemented in C++.
The implementation is based on Message Passing Interface (MPI).
The Blue Obelisk is a group of scientists driven by a belief in Open Source, Open Standards and Open Data, expressed in code, data, algorithms, specifications, tutorials, demonstrations, articles and anything that helps get the message across.