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Fixed a small typo in sc_dmft.py

This commit is contained in:
Oleg E. Peil 2016-12-31 11:13:29 +01:00
parent 54022c3952
commit 61f11bcff4

View File

@ -111,7 +111,7 @@ def run_all(vasp_pid, dmft_cycle, cfg_file, n_iter):
break break
# Tell VASP to stop if the maximum number of iterations is reached # Tell VASP to stop if the maximum number of iterations is reached
iter += 1 iter += 1
if iter = n_iter: if iter == n_iter:
if mpi.is_master_node(): if mpi.is_master_node():
print "\n Maximum number of iterations reached." print "\n Maximum number of iterations reached."
print " Aborting VASP iterations...\n" print " Aborting VASP iterations...\n"