summaryrefslogtreecommitdiff
path: root/academic/mpqc/slack-desc
blob: 83fc628ee09c5d9f8cef2196cbdc41d0df2cc00c (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
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: