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 |
< |
Exclude* 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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