# | Line 10 | Line 10 | class ExtendedSystem{ (public) | |
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10 | class ExtendedSystem{ | |
11 | public: | |
12 | ||
13 | < | ExtendedSystem(SimInfo &info); |
13 | > | ExtendedSystem(SimInfo* the_entry_plug); |
14 | virtual ~ExtendedSystem() {} | |
15 | ||
16 | void setQmass(double q) {qmass = q;} | |
# | Line 24 | Line 24 | class ExtendedSystem{ (public) | |
24 | ||
25 | protected: | |
26 | ||
27 | + | SimInfo* entry_plug; |
28 | + | |
29 | + | // |
30 | + | int nAtoms; |
31 | + | int nMols; |
32 | + | int nOriented; |
33 | + | int ndf; |
34 | + | |
35 | + | Molecule* molecules; |
36 | + | Atom** atoms; |
37 | + | |
38 | // zeta and epsilonDot are propagated | |
39 | double zeta; | |
40 | double epsilonDot; | |
# | Line 36 | Line 47 | class ExtendedSystem{ (public) | |
47 | double tauRelax; | |
48 | ||
49 | }; | |
50 | + | #endif |
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