--- trunk/src/brains/SimCreator.cpp 2014/04/15 20:36:19 1983 +++ trunk/src/brains/SimCreator.cpp 2014/12/11 16:16:43 2047 @@ -228,7 +228,7 @@ namespace OpenMD { catch (OpenMDException& e) { sprintf(painCave.errMsg, "%s\n", - e.getMessage().c_str()); + e.what()); painCave.isFatal = 1; simError(); } @@ -785,10 +785,18 @@ namespace OpenMD { } } - if (simParams->getOutputElectricField() | simParams->haveElectricField()) { + if (simParams->getOutputElectricField() | + simParams->haveElectricField() | simParams->haveUniformField() | + simParams->haveUniformGradientStrength() | + simParams->haveUniformGradientDirection1() | + simParams->haveUniformGradientDirection2() ) { storageLayout |= DataStorage::dslElectricField; } + if (simParams->getOutputSitePotential() ) { + storageLayout |= DataStorage::dslSitePotential; + } + if (simParams->getOutputFluctuatingCharges()) { storageLayout |= DataStorage::dslFlucQPosition; storageLayout |= DataStorage::dslFlucQVelocity;