| # | Line 111 | Line 111 | template<typename T> void NVT<T>::moveA() { | |
|---|---|---|
| 111 | } | |
| 112 | } | |
| 113 | ||
| 114 | < | rattle->doRattleA(); |
| 114 | > | consFramework->doConstrainA(); |
| 115 | ||
| 116 | // Finally, evolve chi a half step (just like a velocity) using | |
| 117 | // temperature at time t, not time t+dt/2 | |
| # | Line 191 | Line 191 | template<typename T> void NVT<T>::moveB( void ){ | |
| 191 | } | |
| 192 | } | |
| 193 | ||
| 194 | < | rattle->doRattleB(); |
| 194 | > | consFramework->doConstrainB(); |
| 195 | ||
| 196 | if (fabs(prevChi - chi) <= chiTolerance) break; | |
| 197 | } | |
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