| # | Line 30 | Line 30 | typedef struct{ | |
|---|---|---|
| 30 | double targetTemp; | |
| 31 | double dt; | |
| 32 | double runTime; | |
| 33 | + | |
| 34 | double boxX, boxY, boxZ; | |
| 35 | + | bool haveBox; |
| 36 | + | |
| 37 | int nComponents; | |
| 38 | int totNmol; | |
| 39 | int* componentsNmol; | |
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