# | Line 123 | Line 123 | namespace OpenMD { | |
---|---|---|
123 | cfrc = atom->getFlucQFrc(); | |
124 | cmass = atom->getChargeMass(); | |
125 | ||
126 | + | cerr << cpos << "\t" << cvel << "\t" << cfrc << "\t" << instTemp << "\t" <<chi << "\t" << integralOfChidt << "\n"; |
127 | // velocity half step | |
128 | cvel += dt2_ * cfrc / cmass - dt2_*chi*cvel; | |
129 | // position whole step |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |