diff options
Diffstat (limited to 'science/py-PyQuante/pkg-descr')
| -rw-r--r-- | science/py-PyQuante/pkg-descr | 12 |
1 files changed, 12 insertions, 0 deletions
diff --git a/science/py-PyQuante/pkg-descr b/science/py-PyQuante/pkg-descr new file mode 100644 index 000000000000..a56fd306a6e2 --- /dev/null +++ b/science/py-PyQuante/pkg-descr @@ -0,0 +1,12 @@ +PyQuante (Sourceforge Project Page) is an open-source suite of programs for +developing quantum chemistry methods. The program is written in the Python +programming language, but has many "rate-determining" modules also written +in C for speed. The resulting code, though not as fast as Jaguar, NWChem, +Gaussian, or MPQC, is much easier to understand and modify. The goal of this +software is not necessarily to provide a working quantum chemistry program +(although it will hopefully do that), but rather to provide a well-engineered +set of tools so that scientists can construct their own quantum chemistry +programs without going through the tedium of having to write every low-level +routine. + +WWW: http://pyquante.sourceforge.net/ |