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limit kain to run 2 more than maxsub. Might reduce noise at the end o…
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…f the calculation
ahurta92 committed Oct 25, 2023

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LunarX Gibran Chevalley
1 parent 5668a21 commit 2dcdb6f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/apps/molresponse/FrequencyResponse.cpp
Original file line number Diff line number Diff line change
@@ -280,7 +280,7 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator<d

auto [new_res, bsh] = update_residual(world, chi, new_chi, r_params.calc_type(), old_residuals, xres_old);
inner_to_json(world, "r_x", response_context.inner(new_res, new_res), iter_function_data);
if (iteration >= 0) {// & (iteration % 3 == 0)) {
if (iteration >= 0 && iteration < r_params.maxsub() + 2) {// & (iteration % 3 == 0)) {
new_chi = kain_x_space_update(world, chi, new_res, kain_x_space);
}
inner_to_json(world, "x_update", response_context.inner(new_chi, new_chi), iter_function_data);

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