84 |
|
char *parseErr; |
85 |
|
int procIndex; |
86 |
|
double boxMat[9]; |
87 |
< |
|
87 |
> |
double theBoxMat3[3][3]; |
88 |
|
|
89 |
|
simnfo = the_simnfo; |
90 |
|
|
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); |
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 |