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libmopac7-dev

Semi-empirical Quantum Chemistry Library (development files)

Variants:
MOPAC provides routines to solve the electronic structure of molecules on a semi-empirical level. Available methods include MNDO, MINDO/3, AM1 and PM3.

This package contains the MOPAC7 code folded into a static library and the headers.

Homepage:
Package version:1.15-4
Architecture:i386
Distribution:Debian
Filename:libmopac7-dev_1.15-4_i386.deb

/usr/share/doc/libmopac7-dev/README.gz

The objective of this work is to make available both a stand-alone MOPAC7
application and a library containing MOPAC7 code, using the f2c tool.

The original fortran source is included, and some careful modifications are
added there. So far they are well-known bug fixes and some extensions, where
original mopac subroutines copied, renamed and modified.


The list of modifications follows:
^^^^^^^^
more»

/usr/share/doc/libmopac7-dev/NEWS.gz

v1.0 released in November 2004.

/usr/share/doc/libmopac7-dev/changelog.Debian.gz

mopac7 (1.15-4) unstable; urgency=low

  * debian/rules (Build-Depends): Added dpatch.
  * debian/patches/04_limit_atoms.dpatch: New patch, reduces the maximum
    number of atoms to work around a build failure on ia64.
  * debian/rules: Include /usr/share/cdbs/1/rules/dpatch.mk.

 -- Michael Banck <mbanck@debian.org>  Wed, 17 Feb 2010 15:06:46 +0100

mopac7 (1.15-3) unstable; urgency=low

  * deb
more»

/usr/share/doc/libmopac7-dev/changelog.gz

2006-04-24 14:50  thassine

	* Makefile.am, configure, configure.ac, tests/.cvsignore,
	  tests/Make
more»

/usr/share/doc/libmopac7-dev/AUTHORS

MOPAC7 originally is a work of James J. P. Stewart and co-workers.
The MOPAC7 package used as a base
more»

/usr/share/doc/libmopac7-dev/copyright

This package was debianized by Michael Banck <mbanck@debian.org> on
Fri,  1 Jul 2005 21:38:37 +0200.
more»

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