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Diffstat (limited to 'academic/mpqc/slack-desc')
| -rw-r--r-- | academic/mpqc/slack-desc | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/academic/mpqc/slack-desc b/academic/mpqc/slack-desc new file mode 100644 index 0000000000000..83fc628ee09c5 --- /dev/null +++ b/academic/mpqc/slack-desc @@ -0,0 +1,19 @@ +# HOW TO EDIT THIS FILE: +# The "handy ruler" below makes it easier to edit a package description. Line +# up the first '|' above the ':' following the base package name, and the '|' on +# the right side marks the last column you can put a character in. You must make +# exactly 11 lines for the formatting to be correct. It's also customary to +# leave one space after the ':'. + + |-----handy-ruler------------------------------------------------------| +mpqc: mpqc (ab-initio quantum chemistry code) +mpqc: +mpqc: MPQC is the Massively Parallel Quantum Chemistry Program. +mpqc: It computes properties of atoms and molecules from first principles +mpqc: using the time independent Schrödinger equation. +mpqc: Methods supported are: HF, MP2 AND DFT for energies and gradients, +mpqc: OPT2 and ZAPT2 for energies. +mpqc: +mpqc: +mpqc: +mpqc: |