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root/group/trunk/OOPSE/libmdtools/DirectionalAtom.cpp
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Comparing trunk/OOPSE/libmdtools/DirectionalAtom.cpp (file contents):
Revision 597 by mmeineke, Mon Jul 14 21:28:54 2003 UTC vs.
Revision 599 by mmeineke, Mon Jul 14 21:48:43 2003 UTC

# Line 177 | Line 177 | void DirectionalAtom::updateU( void ){
177    ul[offsetZ] = (Amat[Axz] * sux) + (Amat[Ayz] * suy) + (Amat[Azz] * suz);
178   }
179  
180 + void DirectionalAtom::getJ( double theJ[3] ){
181 +  
182 +  theJ[0] = jx;
183 +  theJ[1] = jy;
184 +  theJ[2] = jz;
185 + }
186 +
187 + void DirectionalAtom::setJ( double theJ[3] ){
188 +  
189 +  jx = theJ[0];
190 +  jy = theJ[1];
191 +  jz = theJ[2];
192 + }
193 +
194 + void DirectionalAtom::getTrq( double theT[3] ){
195 +  
196 +  theT[0] = trq[offsetX];
197 +  theT[1] = trq[offsetY];
198 +  theT[2] = trq[offsetZ];
199 + }
200 +
201 + void DirectionalAtom::addTrq( double theT[3] ){
202 +  
203 +  trq[offsetX] += theT[0];
204 +  trq[offsetY] += theT[1];
205 +  trq[offsetZ] += theT[2];
206 + }
207 +
208 +
209 + void DirectionalAtom::getI( double the_I[3][3] ){
210 +  
211 +  the_I[0][0] = Ixx;
212 +  the_I[0][1] = Ixy;
213 +  the_I[0][2] = Ixz;
214 +
215 +  the_I[1][0] = Iyx;
216 +  the_I[1][1] = Iyy;
217 +  the_I[1][2] = Iyz;
218 +
219 +  the_I[2][0] = Izx;
220 +  the_I[2][1] = Izy;
221 +  the_I[2][2] = Izz;
222 + }

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