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Bug#425039: marked as done (ITP: libint -- Evaluate the integrals in modern atomic and molecular theory)

Your message dated Tue, 09 Sep 2008 18:06:21 -0700
with message-id <507558y8ylt0$x9780gt0$6255o7t0@Delldim5150
and subject line Dentist.s List in the US
has caused the Debian Bug report #425039,
regarding ITP: libint -- Evaluate the integrals in modern atomic and molecular theory
to be marked as done.

This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

(NB: If you are a system administrator and have no idea what this
message is talking about, this may indicate a serious mail system
misconfiguration somewhere. Please contact owner@bugs.debian.org
immediately.)


-- 
425039: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=425039
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist
Owner: Daniel Leidert <daniel.leidert@wgdd.de>

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* Package name    : libint
  Version         : 1.1.3
  Upstream Author : Edward Valeev
* URL             : http://www.chem.vt.edu/chem-dept/valeev/software/libint/libint.html
* License         : GPL
  Programming Lang: C/C++
  Description     : Evaluate the integrals in modern atomic and molecular theory

Libint library is used to evaluate the traditional (electron repulsion)
and certain novel two-body matrix elements (integrals) over Cartesian
Gaussian functions used in modern atomic and molecular theory. The idea
of the library is to let computer write optimized code for computing
such integrals. There are two primary advantages to this: much less
human effort is required to write code for computing new integrals, and
code can be optimized specifically for a particular computer
architecture (e.g., vector processor).

Libint has been utilized to implement methods such as Hartree-Fock (HF)
and Kohn-Sham density functional theory (KS DFT), second-order
Moller-Plesset perturbation theory (MP2), coupled cluster singles and
doubles (CCSD) method, as well as explicitly correlated R12 methods.
The following software packages use Libint: 


Improves mpqc (#409025) and psi3.



- -- System Information:
Debian Release: lenny/sid
  APT prefers unstable
  APT policy: (850, 'unstable'), (700, 'testing'), (550, 'stable'), (110, 'experimental')
Architecture: i386 (i686)

Kernel: Linux 2.6.20.3 (PREEMPT)
Locale: LANG=de_DE, LC_CTYPE=de_DE (charmap=ISO-8859-1)
Shell: /bin/sh linked to /bin/bash

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