diff --git a/src/modules/epsrManager/process.cpp b/src/modules/epsrManager/process.cpp index 329dcc7767..5fb174cf01 100644 --- a/src/modules/epsrManager/process.cpp +++ b/src/modules/epsrManager/process.cpp @@ -48,21 +48,21 @@ Module::ExecutionResult EPSRManagerModule::process(ModuleContext &moduleContext) for (auto &&[at1, at2, ep] : eps) { auto key = EPSRManagerModule::pairKey(at1, at2); - auto keyIt = potentials.potential().find(key); - if (keyIt == potentials.potential().end()) - potentials.potential()[key] = {ep, 1, at1, at2}; + auto keyIt = potentials.potentialMap().find(key); + if (keyIt == potentials.potentialMap().end()) + potentials.potentialMap()[key] = {ep, 1, at1, at2}; else { - Interpolator::addInterpolated(ep, potentials.potential()[key].ep, 1.0); - ++potentials.potential()[key].count; + Interpolator::addInterpolated(ep, potentials.potentialMap()[key].ep, 1.0); + ++potentials.potentialMap()[key].count; } } } // Perform averaging of potentials data if requested if (averagingLength_) - Averaging::average>(moduleContext.dissolve().processingModuleData(), "AveragingPotentials", - name(), averagingLength_.value(), averagingScheme_); + Averaging::average(moduleContext.dissolve().processingModuleData(), "AveragingPotentials", name(), + averagingLength_.value(), averagingScheme_); /* // Form averages for (auto &&[key, epData] : potentials) @@ -106,7 +106,7 @@ Module::ExecutionResult EPSRManagerModule::process(ModuleContext &moduleContext) Messenger::print("Apply scaling factor of {} to potential(s) {}-{}...\n", scaleFactor, typeA, typeB); auto count = 0; - for (auto &&[key, epData] : potentials.potential()) + for (auto &&[key, epData] : potentials.potentialMap()) { // Is this potential a match if ((DissolveSys::sameWildString(typeA, epData.at1->name()) && @@ -123,7 +123,7 @@ Module::ExecutionResult EPSRManagerModule::process(ModuleContext &moduleContext) } // Adjust global potentials - for (auto &&[key, epData] : potentials.potential()) + for (auto &&[key, epData] : potentials.potentialMap()) { // Grab pointer to the relevant pair potential (if it exists) auto *pp = moduleContext.dissolve().pairPotential(epData.at1, epData.at2);