mpqc binary package in Ubuntu Lunar arm64

 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 second-order Moeller-Plesset perturbation theory (MP2)
 .
 Additionally, it can compute energies for the following methods:
  * Open shell MP2 and closed shell explicitly correlated MP2 theory (MP2-R12)
  * 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).

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2022-12-03 22:03:57 UTC Published Ubuntu Lunar arm64 release universe science Optional 2.3.1-22
  • Published
  • Copied from ubuntu lunar-proposed arm64 in Primary Archive for Ubuntu
  Deleted Ubuntu Lunar arm64 proposed universe science Optional 2.3.1-22
  • Removal requested .
  • Deleted by Ubuntu Archive Auto-Sync

    Moved to lunar

  • Published
  2022-12-03 22:04:12 UTC Superseded Ubuntu Lunar arm64 release universe science Optional 2.3.1-21
  • Removal requested .
  • Superseded by arm64 build of mpqc 2.3.1-22 in ubuntu lunar PROPOSED
  • Published
  • Copied from ubuntu hirsute-proposed arm64 in Primary Archive for Ubuntu

Source package