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Solves one-electron Schrödinger equation, with SLEPc and PETSc
...The implemented algorithm uses Finite Element Method with B-splines as basis functions. Disctretization leads to generalized eigenvalue problem.
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 Toolkit for Advanced Discriminative Modeling (TADM) is a C++ implementation for estimating the parameters of discriminative models, such as maximum entropy models. It uses the PETSc and TAO toolkits to provide high performance and scalability.