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| author | Daniil Bratashov <dn2010@gmail.com> | 2010-05-13 00:57:20 +0200 |
|---|---|---|
| committer | Robby Workman <rworkman@slackbuilds.org> | 2010-05-13 00:57:20 +0200 |
| commit | 8f557295a8c0ce9eb4c76ebfa90d85a6bfc1b4e9 (patch) | |
| tree | 33b3e7df8278c03d0cfafca39e27dbfe50747f64 /academic/mpqc/README | |
| parent | 6e9b05c93ca88fa1751e330176652bd007c27803 (diff) | |
| download | slackbuilds-8f557295a8c0ce9eb4c76ebfa90d85a6bfc1b4e9.tar.xz | |
academic/mpqc: Added to 13.0 repository
Diffstat (limited to 'academic/mpqc/README')
| -rw-r--r-- | academic/mpqc/README | 7 |
1 files changed, 7 insertions, 0 deletions
diff --git a/academic/mpqc/README b/academic/mpqc/README new file mode 100644 index 000000000000..e967d634fe29 --- /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. |