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Correct calculation of the Forces within the Verlet integrator. Updated doc.

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Julien Guénolé
2017-07-17 14:10:17 +02:00
parent e5e630ee09
commit f9315a7ad9
4 changed files with 26 additions and 12 deletions
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src/min.cpp
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@ -682,10 +682,10 @@ void Min::modify_params(int narg, char **arg)
iarg += 2;
} else if (strcmp(arg[iarg],"integrator") == 0) {
if (iarg+2 > narg) error->all(FLERR,"Illegal min_modify command");
if (strcmp(arg[iarg+1],"euler") == 0) integrator = 0;
if (strcmp(arg[iarg+1],"eulerimplicit") == 0) integrator = 0;
else if (strcmp(arg[iarg+1],"verlet") == 0) integrator = 1;
else if (strcmp(arg[iarg+1],"leapfrog") == 0) integrator = 2;
else if (strcmp(arg[iarg+1],"eulerstandard") == 0) integrator = 3;
else if (strcmp(arg[iarg+1],"eulerexplicit") == 0) integrator = 3;
else error->all(FLERR,"Illegal min_modify command");
iarg += 2;
} else if (strcmp(arg[iarg],"line") == 0) {