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standard Kain
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ahurta92 committed Oct 26, 2023
1 parent 7f8804f commit 95d741d
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
Expand Up @@ -272,7 +272,7 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator<d

auto [new_res, bsh_norms] = 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 <r_params.maxsub()+3) {// & (iteration % 3 == 0)) {
if (iteration >= 0 ) {// & (iteration % 3 == 0)) {
new_chi = kain_x_space_update(world, chi, new_res, kain_x_space);
}
chi_norm=new_chi.norm2s();
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