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minor optimization, avoiding double computation and extra communication

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This commit is contained in:
Yaser Afshar
2020-03-06 09:01:28 -06:00
parent bc8fa088be
commit a3eee419a1
1 changed files with 1 additions and 2 deletions
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3
src/min_cg.cpp
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@ -109,11 +109,10 @@ int MinCG::iterate(int maxiter)
dotall[1] += fextra[i]*gextra[i]; dotall[1] += fextra[i]*gextra[i];
} }
fdotf = 0.0;
if (update->ftol > 0.0) { if (update->ftol > 0.0) {
if (normstyle == MAX) fdotf = fnorm_max(); // max force norm if (normstyle == MAX) fdotf = fnorm_max(); // max force norm
else if (normstyle == INF) fdotf = fnorm_inf(); // infinite force norm else if (normstyle == INF) fdotf = fnorm_inf(); // infinite force norm
else if (normstyle == TWO) fdotf = fnorm_sqr(); // Euclidean force 2-norm else if (normstyle == TWO) fdotf = dotall[0]; // Euclidean force 2-norm
else error->all(FLERR,"Illegal min_modify command"); else error->all(FLERR,"Illegal min_modify command");
if (fdotf < update->ftol*update->ftol) return FTOL; if (fdotf < update->ftol*update->ftol) return FTOL;
} }