| 39 |
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double dielectric; // the dielectric of the medium for reaction field |
| 40 |
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| 41 |
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int n_exclude; // the # of pairs excluded from long range forces |
| 42 |
< |
int *excludes; // the pairs themselves |
| 42 |
> |
Exclude** excludes; // the pairs themselves |
| 43 |
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| 44 |
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int nGlobalExcludes; |
| 45 |
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int* globalExcludes; // same as above, but these guys participate in |
| 50 |
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int n_constraints; // the number of constraints on the system |
| 51 |
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| 52 |
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unsigned int n_SRI; // the number of short range interactions |
| 53 |
– |
SRI **sr_interactions;// the array of short range force objects |
| 53 |
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|
| 54 |
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double lrPot; // the potential energy from the long range calculations. |
| 55 |
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