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dynamical_matrix progress indicator

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This commit is contained in:
Sebastian Hütter
2019-03-06 14:28:58 +01:00
parent bb8398b22b
commit e8efa01006
1 changed files with 10 additions and 0 deletions
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10
src/USER-PHONON/dynamical_matrix.cpp
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@ -262,6 +262,7 @@ void DynamicalMatrix::calculateMatrix()
if (comm->me == 0 && screen) fprintf(screen,"Calculating Dynamical Matrix...\n"); if (comm->me == 0 && screen) fprintf(screen,"Calculating Dynamical Matrix...\n");
update->nsteps = 0; update->nsteps = 0;
int prog = 0;
for (bigint i=1; i<=natoms; i++){ for (bigint i=1; i<=natoms; i++){
local_idx = atom->map(i); local_idx = atom->map(i);
for (bigint alpha=0; alpha<3; alpha++){ for (bigint alpha=0; alpha<3; alpha++){
@ -300,7 +301,16 @@ void DynamicalMatrix::calculateMatrix()
if (me == 0) if (me == 0)
writeMatrix(fdynmat); writeMatrix(fdynmat);
dynmat_clear(dynmat); dynmat_clear(dynmat);
if (comm->me == 0 && screen) {
int p = 10 * i / natoms;
if (p > prog) {
prog = p;
fprintf(screen," %d%%",p*10);
fflush(screen);
}
}
} }
if (comm->me == 0 && screen) fprintf(screen,"\n");
for (int i=0; i < 3; i++) for (int i=0; i < 3; i++)
delete [] dynmat[i]; delete [] dynmat[i];