# | Line 84 | Line 84 | void InitializeFromFile :: read_xyz( SimInfo* the_simn | |
---|---|---|
84 | char *parseErr; | |
85 | int procIndex; | |
86 | double boxMat[9]; | |
87 | < | |
87 | > | double theBoxMat3[3][3]; |
88 | ||
89 | simnfo = the_simnfo; | |
90 | ||
# | Line 130 | Line 130 | void InitializeFromFile :: read_xyz( SimInfo* the_simn | |
130 | simError(); | |
131 | } | |
132 | ||
133 | < | simnfo->setBoxM( boxMat ); |
133 | > | for(i=0;i<3;i++) |
134 | > | for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i]; |
135 | ||
136 | + | simnfo->setBoxM( theBoxMat3 ); |
137 | ||
138 | + | |
139 | for( i=0; i < n_atoms; i++){ | |
140 | ||
141 | eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file); | |
# | Line 301 | Line 304 | void InitializeFromFile :: read_xyz( SimInfo* the_simn | |
304 | ||
305 | // last thing last, enable fatalities. | |
306 | painCave.isEventLoop = 0; | |
307 | < | simnfo->setBoxM( boxMat ); |
307 | > | |
308 | > | for(i=0;i<3;i++) |
309 | > | for(j=0;j<3;j++) theBoxMat3[i][j] = boxMat[3*j+i]; |
310 | > | |
311 | > | simnfo->setBoxM( theBoxMat3 ); |
312 | ||
313 | ||
314 | #endif |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |