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hub / github.com/SZAILAB/MaterialDFT-Demo / EigenvalueBreakState

Class EigenvalueBreakState

cpp_core/src/davidson.cpp:623–628  ·  view source on GitHub ↗

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621}
622
623struct EigenvalueBreakState {
624 std::vector<double> previous_ritz_values_ha;
625 std::vector<double> first_step_delta_ha;
626 bool have_previous = false;
627 bool have_first_step_delta = false;
628};
629
630bool should_stop_vasp_like(
631 const std::vector<double>& current_ritz_values_ha,

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