| 244 |
|
|
| 245 |
|
nElements = nNew; |
| 246 |
|
} |
| 247 |
+ |
|
| 248 |
+ |
|
| 249 |
+ |
void Atom::getPos( double theP[3] ){ |
| 250 |
+ |
|
| 251 |
+ |
theP[0] = pos[offsetX]; |
| 252 |
+ |
theP[1] = pos[offsetY]; |
| 253 |
+ |
theP[2] = pos[offsetZ]; |
| 254 |
+ |
} |
| 255 |
+ |
|
| 256 |
+ |
void Atom::setPos( double theP[3] ){ |
| 257 |
+ |
|
| 258 |
+ |
pos[offsetX] = theP[0]; |
| 259 |
+ |
pos[offsetY] = theP[1]; |
| 260 |
+ |
pos[offsetZ] = theP[2]; |
| 261 |
+ |
} |
| 262 |
+ |
|
| 263 |
+ |
void Atom::getVel( double theV[3] ){ |
| 264 |
+ |
|
| 265 |
+ |
theV[0] = vel[offsetX]; |
| 266 |
+ |
theV[1] = vel[offsetY]; |
| 267 |
+ |
theV[2] = vel[offsetZ]; |
| 268 |
+ |
} |
| 269 |
+ |
|
| 270 |
+ |
void Atom::setVel( double theV[3] ){ |
| 271 |
+ |
|
| 272 |
+ |
vel[offsetX] = theV[0]; |
| 273 |
+ |
vel[offsetY] = theV[1]; |
| 274 |
+ |
vel[offsetZ] = theV[2]; |
| 275 |
+ |
} |
| 276 |
+ |
|
| 277 |
+ |
void Atom::getFrc( double theF[3] ){ |
| 278 |
+ |
|
| 279 |
+ |
theF[0] = frc[offsetX]; |
| 280 |
+ |
theF[1] = frc[offsetY]; |
| 281 |
+ |
theF[2] = frc[offsetZ]; |
| 282 |
+ |
} |
| 283 |
+ |
|
| 284 |
+ |
void Atom::addFrc( double theF[3] ){ |
| 285 |
+ |
|
| 286 |
+ |
frc[offsetX] += theF[0]; |
| 287 |
+ |
frc[offsetY] += theF[1]; |
| 288 |
+ |
frc[offsetZ] += theF[2]; |
| 289 |
+ |
} |