From 8f557295a8c0ce9eb4c76ebfa90d85a6bfc1b4e9 Mon Sep 17 00:00:00 2001 From: Daniil Bratashov Date: Thu, 13 May 2010 00:57:20 +0200 Subject: academic/mpqc: Added to 13.0 repository --- academic/mpqc/README | 7 +++++++ 1 file changed, 7 insertions(+) create mode 100644 academic/mpqc/README (limited to 'academic/mpqc/README') 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. -- cgit v1.2.3