# | Line 1 | Line 1 | |
---|---|---|
1 | #include <cstdlib> | |
2 | ||
3 | #include "SimInfo.hpp" | |
4 | < | |
4 | > | #define __C |
5 | > | #include "fSimulation.h" |
6 | extern "C"{ | |
7 | void wrapsimmod_( void (*wrapFunction)(void (*fSub)( int*, double*, | |
8 | double*, double*))); | |
# | Line 39 | Line 40 | void SimInfo::refreshSim(){ | |
40 | box[1] = box_y; | |
41 | box[2] = box_z; | |
42 | ||
43 | < | setFsimulation( &n_atoms, box, &rList, &rCut ); |
43 | > | |
44 | > | |
45 | > | setFsimulation( &n_atoms, box, &rList, &rCut,&ensemble, |
46 | > | &mixingRule,&usePBC); |
47 | } | |
48 | ||
49 |
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