ORCA6.1.1 correlation examples. 25 accepted native CPU conditions; three teaching workflows, not 25 properties.
On allocated compute resource: bash run.sh; via included GPU-allocation template: sbatch submit.slurm (ORCA CPU only; GPU quota and partition billing still apply). Regular production: yskit CPU template.
Postprocess included reference: bash analyze.sh; rerun results: bash analyze.sh work.
Official vendor prebuilt ORCA CPU; OpenMPI4.1.8 built GNU13.3. Serial 1 core/1 thread, maxcore500MB per process. ASE3.29.0 environment supplies plotting and NumPy/SciPy.
No proprietary program or binary wavefunctions included. Water/H2 teaching structures and own actual text output only. Finite basis, small systems, not converged general method benchmarks. PNO reference differs from canonical NoRI reference; all PNO series share one RIJCOSX reference. Printed active-basis density diagonals need not be natural occupations; code diagonalizes full 1RDM. Two-electron CCSD/full-CI limit is special.
