# | Line 73 | Line 73 | class SimInfo{ (public) | |
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73 | ||
74 | double HmatI[9]; // the inverted Hmat; | |
75 | double boxLx, boxLy, boxLz; // the box Lengths | |
76 | < | double boxVol, orthoRhombic; |
76 | > | double boxVol; |
77 | > | int orthoRhombic; |
78 | ||
79 | ||
80 | ||
# | Line 131 | Line 132 | class SimInfo{ (public) | |
132 | void setBox( double newBox[3] ); | |
133 | void setBoxM( double newBox[9] ); | |
134 | void getBoxM( double theBox[9] ); | |
135 | + | void scaleBox( double scale ); |
136 | ||
137 | void wrapVector( double thePos[3] ); | |
138 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |