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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <vector>#include <tuple>#include <algorithm>#include <cmath>#include "matrix_methods.h"#include "source_base/matrix.h"#include "source_base/matrix3.h"#include "source_cell/unitcell.h"#include "source_esolver/esolver.h"#include "source_esolver/esolver_ks.h"Go to the source code of this file.
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| class | LBFGS |
| Implements L-BFGS optimization algorithm for structural relaxation. More... | |