version 1.1247 | version 1.1248 |
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/***************************************************************************** | /***************************************************************************** |
* $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.h,v $ | * $Source: /home/cvs/namd/cvsroot/namd2/src/SimParameters.h,v $ |
* $Author: jim $ | * $Author: jim $ |
* $Date: 2017/03/20 19:52:17 $ | * $Date: 2017/03/30 20:06:17 $ |
* $Revision: 1.1247 $ | * $Revision: 1.1248 $ |
*****************************************************************************/ | *****************************************************************************/ |
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#ifndef SIMPARAMETERS_H | #ifndef SIMPARAMETERS_H |
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Bool useDPME; // Flag TRUE -> old DPME code | Bool useDPME; // Flag TRUE -> old DPME code |
Bool usePMECUDA; // Flag TRUE -> use the PME CUDA version | Bool usePMECUDA; // Flag TRUE -> use the PME CUDA version |
Bool useCUDA2; // Flag TRUE -> use ComputeNonbondedCUDA2 | Bool useCUDA2; // Flag TRUE -> use ComputeNonbondedCUDA2 |
| int bondedCUDA; // Bitmask for calculating bonded interactions on GPU |
Bool useOptPME; // Flag TRUE -> use the scalable version of PME | Bool useOptPME; // Flag TRUE -> use the scalable version of PME |
Bool useManyToMany; // Flag TRUE -> use the manytomany optimization of PME. | Bool useManyToMany; // Flag TRUE -> use the manytomany optimization of PME. |
// This flag requres useOptPME to be set. | // This flag requres useOptPME to be set. |