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This commit is contained in:
Julien Guénolé 2020-03-05 11:57:01 +01:00
parent ca89c460bf
commit 1ee67c20d9
1 changed files with 4 additions and 3 deletions
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7
src/min_fire.cpp
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@ -271,8 +271,9 @@ int MinFire::iterate(int maxiter)
flagv0 = 1; flagv0 = 1;
} }
// 1st iter: evauates velocity // evaluates velocties to estimate wether dtv has to be limited
// required to limit timestep in case of particles // required when v have been reset
if (flagv0) { if (flagv0) {
dtf = dt * force->ftm2v; dtf = dt * force->ftm2v;
energy_force(0); energy_force(0);
@ -307,7 +308,7 @@ int MinFire::iterate(int maxiter)
MPI_Allreduce(&dtvone,&dtv,1,MPI_DOUBLE,MPI_MIN,world); MPI_Allreduce(&dtvone,&dtv,1,MPI_DOUBLE,MPI_MIN,world);
// 1st iter: velocities reset to 0 // reset velocities when necessary
if (flagv0) { if (flagv0) {
for (int i = 0; i < nlocal; i++) for (int i = 0; i < nlocal; i++)