diff --git a/src/madness/chem/mp3.h b/src/madness/chem/mp3.h index 3c0a7328c15..b31c4eb27e2 100644 --- a/src/madness/chem/mp3.h +++ b/src/madness/chem/mp3.h @@ -108,9 +108,10 @@ class MP3 : public CCPotentials { } else { MADNESS_CHECK(partitioner->dimension==2); MADNESS_CHECK(j_vec.size()==ij_vec.size()); - i=batch.input[0].begin; - j=batch.input[1].begin; + i=batch.input[0].begin+parameters.freeze(); + j=batch.input[1].begin+parameters.freeze(); } + print("i,j,parameters.freeze()=",i,j,parameters.freeze()); // convert vector of vectors back to Pairs PairVectorMap square_map=PairVectorMap::quadratic_map(parameters.freeze(),mo_ket.size());