bagel 0.0~git20150902-1build1 source package in Ubuntu

Changelog

bagel (0.0~git20150902-1build1) xenial; urgency=medium

  * No-change rebuild for openmpi transition.

 -- Matthias Klose <email address hidden>  Sun, 07 Feb 2016 12:55:54 +0000

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Uploaded by:
Matthias Klose on 2016-02-07
Uploaded to:
Xenial
Original maintainer:
Debichem Team
Architectures:
any all
Section:
misc
Urgency:
Medium Urgency

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Series Pocket Published Component Section

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File Size SHA-256 Checksum
bagel_0.0~git20150902.orig.tar.gz 21.9 MiB f05f2846727e0c214f73684ccc2e19252046a9804d006c283b30959fbf083197
bagel_0.0~git20150902-1build1.debian.tar.xz 5.8 KiB 56f58c8d076116f60dda9408b6755de3f708d04a266f14499bc5acf46ae809f7
bagel_0.0~git20150902-1build1.dsc 2.1 KiB e966c5a51d6c1364681eec3cb131475fcc9f3a1f081648de6c73440c367687a1

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Binary packages built by this source

bagel: Computational Chemistry Package

 BAGEL (Brilliantly Advanced General Electronic-structure Library) is a
 computational chemistry package aimed at large-scale parallel
 computations. It specializes on highgly accurate methods and includes
 density-fitting and relativistic effects for most of the methods it
 implements.
 .
 It can compute energies and gradients for the following methods:
  * Hartree-Fock (HF)
  * Density-Functional Theory (DFT)
  * Second-order Moeller-Plesset perturbation theory (MP2)
  * Complete active space SCF (CASSCF)
  * Complete active space second order perturbation theory (CASPT2)
 .
 Additionally, it can compute energies for the following methods:
  * Mult-state internally contracted multireference configuration-interaction
    (ic-MRCI)
  * N-electron valence-state second order perturbation theory (NEVPT2)
  * Active-space decomposition (ASD) for dimers and for multiple sites via
    density matrix renormalization group (ASD-DMRG)
 .
 BAGEL does not include a disk interface, so computations need to fit in
 memory.

bagel-dbgsym: debug symbols for package bagel

 BAGEL (Brilliantly Advanced General Electronic-structure Library) is a
 computational chemistry package aimed at large-scale parallel
 computations. It specializes on highgly accurate methods and includes
 density-fitting and relativistic effects for most of the methods it
 implements.
 .
 It can compute energies and gradients for the following methods:
  * Hartree-Fock (HF)
  * Density-Functional Theory (DFT)
  * Second-order Moeller-Plesset perturbation theory (MP2)
  * Complete active space SCF (CASSCF)
  * Complete active space second order perturbation theory (CASPT2)
 .
 Additionally, it can compute energies for the following methods:
  * Mult-state internally contracted multireference configuration-interaction
    (ic-MRCI)
  * N-electron valence-state second order perturbation theory (NEVPT2)
  * Active-space decomposition (ASD) for dimers and for multiple sites via
    density matrix renormalization group (ASD-DMRG)
 .
 BAGEL does not include a disk interface, so computations need to fit in
 memory.