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Change indent to make it prettier
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source/module_hsolver/diago_david.h

Lines changed: 16 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -68,15 +68,16 @@ class DiagoDavid : public DiagH<T, Device>
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*/
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using SPsiFunc = std::function<void(T*, T*, const int, const int, const int)>;
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int diag(const HPsiFunc& hpsi_func, // function void hpsi(T*, T*, const int, const int, const int, const int)
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const SPsiFunc& spsi_func, // function void spsi(T*, T*, const int, const int, const int)
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const int ldPsi, // Leading dimension of the psi input
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T *psi_in, // Pointer to eigenvectors
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Real* eigenvalue_in, // Pointer to store the resulting eigenvalues
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const Real david_diag_thr, // Convergence threshold for the Davidson iteration
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const int david_maxiter, // Maximum allowed iterations for the Davidson method
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const int ntry_max = 5, // Maximum number of diagonalization attempts (default is 5)
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const int notconv_max = 0); // Maximum number of allowed non-converged eigenvectors
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int diag(
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const HPsiFunc& hpsi_func, // function void hpsi(T*, T*, const int, const int, const int, const int)
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const SPsiFunc& spsi_func, // function void spsi(T*, T*, const int, const int, const int)
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const int ldPsi, // Leading dimension of the psi input
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T *psi_in, // Pointer to eigenvectors
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Real* eigenvalue_in, // Pointer to store the resulting eigenvalues
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const Real david_diag_thr, // Convergence threshold for the Davidson iteration
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const int david_maxiter, // Maximum allowed iterations for the Davidson method
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const int ntry_max = 5, // Maximum number of diagonalization attempts (default is 5)
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const int notconv_max = 0); // Maximum number of allowed non-converged eigenvectors
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private:
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bool use_paw = false;
@@ -166,12 +167,12 @@ class DiagoDavid : public DiagH<T, Device>
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T* vcc);
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void SchmidtOrth(const int& dim,
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const int nband,
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const int m,
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const T* spsi,
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T* lagrange_m,
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const int mm_size,
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const int mv_size);
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const int nband,
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const int m,
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const T* spsi,
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T* lagrange_m,
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const int mm_size,
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const int mv_size);
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void planSchmidtOrth(const int nband, std::vector<int>& pre_matrix_mm_m, std::vector<int>& pre_matrix_mv_m);
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