# | Line 75 | Line 75 | void NPTi::moveA() { | |
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75 | ||
76 | for (j = 0; j < 3; j++) | |
77 | pos[j] += dt * (vel[j] + eta*rj[j]); | |
78 | – | |
78 | ||
79 | atoms[i]->setPos( pos ); | |
80 | ||
82 | – | |
81 | if( atoms[i]->isDirectional() ){ | |
82 | ||
83 | dAtom = (DirectionalAtom *)atoms[i]; |
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