- Improved variables names.
- Removed unnecessary ritz_vectors calculations.
- Optimized the DPR for the free version #34.
- Removed recomputation of the residues #34.
- Update the whole projection matrix after adding some correction vector. Replace the block update schema.
- Fixed several bugs in the matrix free implementation.
- Select the initial orthonormal basis set based on the lowest diagonal elements of the matrix
- For the Matrix-free implementation, the function that computes the target matrix on the fly, was replaced by another function representing the action of a matrix-operator over a vector
- split the
dense
andmatrix
free into modules - Moved the
lapack
calls to their own module - Moved the array utilities to their own module
- Removed the
DPR
vsGJD
benchmark
- Algorithm for the Generalized eigenvalue problem using the Davidson method.
- Matrix free implementation of the Davidson method using the DPR correction.
- Tests for the lapack wrappers.
-
Append the orthonormalized correction vector to the previous subspace by computing only the matrix elements involved with the new correction vector.
-
Used as maximum dimension of the subspace 10 times the number of requested eigenvalues.