LCPQ/quack
4
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2025-01-03 10:05:59 +01:00
Code Releases Activity

Merge branch 'master' of github.com:pfloos/quack

Browse Source
This commit is contained in:
Pierre-Francois Loos 2021-10-13 18:06:26 +02:00
commit 09c43513e5
3 changed files with 8 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

BIN
GoDuck
View File

Binary file not shown.

9
README.md
View File

@ -1,6 +1,11 @@
# QuAcK # QuAcK
QuAcK is a small quantum chemistry package which does some weird stuff. QuAcK is a small quantum chemistry package which does some weird stuff.
In particular, quack can performed
In particular, quack can perform
i) various types of GW calculations (G0W0, evGW, qsGW, etc). i) various types of GW calculations (G0W0, evGW, qsGW, etc).
ii) ensemble DFT calculations (under progress) ii) ensemble DFT calculations (under progress)
QuAcK also include a very slow integral package called IntPak which does compute many types of different integrals.
QuAcK also includes a very slow integral package called IntPak which does compute many types of different integrals.

2
qcaml-tools/dune-project
View File

@ -8,7 +8,7 @@
) )
(package (package
(name quack-qcaml) (name quack-qcaml)
(synopsis "Quack toold using QCaml") (synopsis "Quack tools using QCaml")
(depends (depends
(ocaml (>= 4.10)) (ocaml (>= 4.10))
(dune (>= 1.10)) (dune (>= 1.10))