--- trunk/src/brains/SimInfo.cpp 2005/11/02 20:36:15 709 +++ trunk/src/brains/SimInfo.cpp 2005/11/03 23:12:27 716 @@ -54,7 +54,7 @@ #include "primitives/Molecule.hpp" #include "UseTheForce/fCutoffPolicy.h" #include "UseTheForce/DarkSide/fElectrostaticSummationMethod.h" -#include "UseTheForce/DarkSide/fScreeningMethod.h" +#include "UseTheForce/DarkSide/fElectrostaticScreeningMethod.h" #include "UseTheForce/doForces_interface.h" #include "UseTheForce/DarkSide/electrostatic_interface.h" #include "UseTheForce/notifyCutoffs_interface.h" @@ -945,8 +945,8 @@ namespace oopse { } } - if (simParams_->haveScreeningMethod()) { - std::string myScreen = simParams_->getScreeningMethod(); + if (simParams_->haveElectrostaticScreeningMethod()) { + std::string myScreen = simParams_->getElectrostaticScreeningMethod(); toUpper(myScreen); if (myScreen == "UNDAMPED") { sm = UNDAMPED; @@ -959,16 +959,17 @@ namespace oopse { "SimInfo warning: dampingAlpha was not specified in the input file. A default value of %f (1/ang) will be used.", alphaVal); painCave.isFatal = 0; simError(); - } else { - // throw error - sprintf( painCave.errMsg, - "SimInfo error: Unknown electrostaticSummationMethod. (Input file specified %s .)\n\telectrostaticSummationMethod must be one of: \"undamped\" or \"damped\".", myScreen.c_str() ); - painCave.isFatal = 1; - simError(); } + } else { + // throw error + sprintf( painCave.errMsg, + "SimInfo error: Unknown electrostaticScreeningMethod. (Input file specified %s .)\n\telectrostaticScreeningMethod must be one of: \"undamped\" or \"damped\".", myScreen.c_str() ); + painCave.isFatal = 1; + simError(); } } } + // let's pass some summation method variables to fortran setElectrostaticSummationMethod( &esm ); setScreeningMethod( &sm );