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fix UT numerical errors
1 parent 0afa102 commit bb8ad83

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2 files changed

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-2
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2 files changed

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source/module_hsolver/hsolver_pw.h

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -36,7 +36,7 @@ class HSolverPW
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const int diag_iter_max_in,
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const double diag_thr_in,
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const bool need_subspace_in,
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const bool use_k_continuity_in = true)
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const bool use_k_continuity_in = false)
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: wfc_basis(wfc_basis_in), calculation_type(calculation_type_in), basis_type(basis_type_in), method(method_in),
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use_paw(use_paw_in), use_uspp(use_uspp_in), nspin(nspin_in), scf_iter(scf_iter_in),
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diag_iter_max(diag_iter_max_in), diag_thr(diag_thr_in), need_subspace(need_subspace_in),

source/module_parameter/input_parameter.h

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -89,7 +89,7 @@ struct Input_para
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bool diago_smooth_ethr = false; ///< smooth ethr for iter methods
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int pw_diag_ndim = 4; ///< dimension of workspace for Davidson diagonalization
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int diago_cg_prec = 1; ///< mohan add 2012-03-31
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bool use_k_continuity = true; ///< whether to use k-point continuity for initializing wave functions
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bool use_k_continuity = false; ///< whether to use k-point continuity for initializing wave functions
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std::string smearing_method = "gauss"; ///< "gauss",
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///< "mp","methfessel-paxton"

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