Loading src/respa.cpp +2 −2 Original line number Diff line number Diff line Loading @@ -454,8 +454,8 @@ void Respa::recurse(int ilevel) if (ilevel) recurse(ilevel-1); // at outermost level: // call initial_integrate w/ flag = 1 so fix NPT,NPH perform 2nd dilate // at correct symmetric position in rRESPA hierarchy // call initial_integrate w/ flag = 1 so fix NPT,NPH performs // 2nd box deform at correct symmetric position in rRESPA hierarchy // check on rebuilding neighbor list // at innermost level, communicate // at middle levels, do nothing Loading Loading
src/respa.cpp +2 −2 Original line number Diff line number Diff line Loading @@ -454,8 +454,8 @@ void Respa::recurse(int ilevel) if (ilevel) recurse(ilevel-1); // at outermost level: // call initial_integrate w/ flag = 1 so fix NPT,NPH perform 2nd dilate // at correct symmetric position in rRESPA hierarchy // call initial_integrate w/ flag = 1 so fix NPT,NPH performs // 2nd box deform at correct symmetric position in rRESPA hierarchy // check on rebuilding neighbor list // at innermost level, communicate // at middle levels, do nothing Loading
