mpqc-openmpi 2.3.1-7ubuntu1 (i386 binary) in ubuntu oneiric

 MPQC is an ab-inito quantum chemistry program. It is especially designed
 to compute molecules in a highly parallelized fashion.
 .
 It can compute energies and gradients for the following methods:
  * Closed shell and general restricted open shell Hartree-Fock (HF)
  * Density Functional Theory (DFT)
  * Closed shell Moeller-Plesset pertubation theory (MP2)
 .
 Additionally, it can compute energies for the following methods:
  * Second order open shell pertubation theory (OPT2[2])
  * Z-averaged pertubation theory (ZAPT2)
 .
 It also includes an internal coordinate geometry optimizer.
 .
 MPQC is built upon the Scientific Computing Toolkit (SC).
 .
 This package merely depends on the main (MPI-enabled) mpqc package.

Details

Package version:
2.3.1-7ubuntu1
Source:
mpqc 2.3.1-7ubuntu1 source package in Ubuntu
Status:
Obsolete
Component:
universe
Priority:
Optional

Package relationships