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diff --git a/academic/mpqc/README b/academic/mpqc/README new file mode 100644 index 0000000000..e967d634fe --- /dev/null +++ b/academic/mpqc/README @@ -0,0 +1,7 @@ +MPQC is the Massively Parallel Quantum Chemistry Program. +It computes properties of atoms and molecules from first principles +using the time independent Schrödinger equation. Methods supported +are: HF, MP2 AND DFT for energies and gradients, OPT2 and ZAPT2 +for energies. + +MPQC requires blas and lapack. |