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1 parent 11e71d4 commit 9bb9b86Copy full SHA for 9bb9b86
client/Parameters.cpp
@@ -1200,6 +1200,14 @@ int Parameters::load(FILE *file) {
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error = 1;
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}
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+ // Check if an initial path exists without a specific non-linear initializer
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+ if (!nebIpath.empty() && neb_initializer == NEBInit::LINEAR) {
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+ SPDLOG_WARN("[Nudged Elastic Band] 'initial_path_in' is provided, but "
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+ "'initializer' defaults to linear. "
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+ "Ensure this is intentional, as the loaded path will not be "
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+ "used without initializer set to file.");
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+ }
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+
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if (saddleDynamicsRecordIntervalInput >
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saddleDynamicsStateCheckIntervalInput) {
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SPDLOG_ERROR("[Saddle Search] dynamics_record_interval must be <= "
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