diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index b9dfbdae190818f9e0895e17cdf46944fa5dab22..bc8a660066205e2ff3a24ac15232972038146f7b 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -700,7 +700,7 @@ void FixQEq::read_file(char *file) int ntypes = atom->ntypes; int *setflag = new int[ntypes+1]; - for (i=0; i < params_per_line; ++i) setflag[i] = 0; + for (i=0; i <= ntypes; ++i) setflag[i] = 0; memory->create(chi,ntypes+1,"qeq:chi"); memory->create(eta,ntypes+1,"qeq:eta");