9 |
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10 |
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#include "fortranWrappers.hpp" |
11 |
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|
12 |
+ |
#ifdef IS_MPI |
13 |
+ |
#include "mpiSimulation.hpp" |
14 |
+ |
#endif |
15 |
+ |
|
16 |
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SimInfo* currentInfo; |
17 |
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|
18 |
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SimInfo::SimInfo(){ |
132 |
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|
133 |
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simtype fInfo; |
134 |
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int isError; |
135 |
+ |
int n_global; |
136 |
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int* excl; |
137 |
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|
138 |
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fInfo.rrf = 0.0; |
166 |
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|
167 |
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excl = Exclude::getArray(); |
168 |
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|
169 |
+ |
#ifdef IS_MPI |
170 |
+ |
n_global = mpiSim->getTotAtoms(); |
171 |
+ |
#else |
172 |
+ |
n_global = n_atoms; |
173 |
+ |
#endif |
174 |
+ |
|
175 |
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isError = 0; |
176 |
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|
177 |
< |
setFsimulation( &fInfo, &n_atoms, identArray, &n_exclude, excl, |
177 |
> |
setFsimulation( &fInfo, &n_global, &n_atoms, identArray, &n_exclude, excl, |
178 |
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&nGlobalExcludes, globalExcludes, molMembershipArray, |
179 |
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&isError ); |
180 |
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