Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
stdsuite testing remp2, oo, dfcc (#375)
* refs: qchem occ, mrcc a-(t), occ (not dfocc) olccd grad. also, make stdsuite fn-like. * dfocc refs non-oo, non-fno * dfocc oo values -- suspect * stdsuite ref: occd vals with tighter combo-diis from dfocc * stdsuite ref: olccd vals with tighter combo-diis from dfocc and conv fc from p4n * stdsuite refs for CCSD, CCSD(T), A-CCSD(T) with combo-diis convergence in dfocc * stdsuite ref: occd(t) and a-occd(t) from dfocc * stdsuite ref: remp, omp2, omp2.5, omp3, oremp from occ/dfocc * avert numpy on str error. REMP -> REMP2 * format * excuse lccd for olccd. format
- Loading branch information