| 357 |
|
int isDipole = 0; |
| 358 |
|
int isSSD = 0; |
| 359 |
|
int isGB = 0; |
| 360 |
– |
double w0 = 0.0; |
| 361 |
– |
double v0 = 0.0; |
| 360 |
|
double dipole = 0.0; |
| 363 |
– |
double GB_dummy = 0.0; |
| 364 |
– |
|
| 361 |
|
|
| 362 |
|
currentAtomType = headAtomType; |
| 363 |
|
while( currentAtomType != NULL ){ |
| 372 |
|
&(currentAtomType->epslon), |
| 373 |
|
&(currentAtomType->sigma), |
| 374 |
|
&dipole, |
| 379 |
– |
&w0, |
| 380 |
– |
&v0, |
| 381 |
– |
&GB_dummy, |
| 382 |
– |
&GB_dummy, |
| 383 |
– |
&GB_dummy, |
| 384 |
– |
&GB_dummy, |
| 385 |
– |
&GB_dummy, |
| 386 |
– |
&GB_dummy, |
| 375 |
|
&isError ); |
| 376 |
|
if( isError ){ |
| 377 |
|
sprintf( painCave.errMsg, |