# | Line 1 | Line 1 | |
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1 | + | #include <iostream> |
2 | + | |
3 | + | using namespace std; |
4 | + | |
5 | #include "Atom.hpp" | |
6 | ||
7 | double* Atom::pos; // the position array | |
# | Line 240 | Line 244 | void Atom::deleteRange(int startIndex, int stopIndex) | |
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 | + | } |
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