--- trunk/OOPSE/libmdtools/NPTf.cpp 2003/07/31 15:35:07 658 +++ trunk/OOPSE/libmdtools/NPTf.cpp 2003/09/04 21:48:35 746 @@ -310,6 +310,17 @@ template int NPTf::readyCheck() { } } +template void NPTf::resetIntegrator() { + int i,j; + + chi = 0.0; + + for(i = 0; i < 3; i++) + for (j = 0; j < 3; j++) + eta[i][j] = 0.0; + +} + template int NPTf::readyCheck() { //check parent's readyCheck() first