NAMD
ComputeGBISser.h
Go to the documentation of this file.
1 
7 /*******************************************************************************
8  *******************************************************************************
9  This serial version of GBIS is out of date and hasn't been vetted;
10  it is to be used as a way of testing new implicit solvent models
11  since all atomic coordinates are gathered into a single Compute.
12  *******************************************************************************
13  ******************************************************************************/
14 
15 #ifndef COMPUTEGBIS_H
16 #define COMPUTEGBIS_H
17 
18 #include "ComputeHomePatches.h"
19 #include "NamdTypes.h"
20 
21 class SubmitReduction;
22 class GBISForceMsg;
23 class ComputeGBISAtom;
24 
26 public:
28  virtual ~ComputeGBISser();
29  void doWork();
30  void saveResults(GBISForceMsg *);
31 
32  private:
33  SubmitReduction *reduction;
34 };
35 
36 #endif
37 
virtual ~ComputeGBISser()
void saveResults(GBISForceMsg *)
int ComputeID
Definition: NamdTypes.h:183
ComputeGBISser(ComputeID c)