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mopac7-bin

Semi-empirical Quantum Chemistry Library (binaries)

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 binaries.

Homepage:
Package version:1.15-4
Architecture:i386
Distribution:Debian
Filename:mopac7-bin_1.15-4_i386.deb

/usr/share/doc/mopac7-bin/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/mopac7-bin/NEWS.gz

v1.0 released in November 2004.

/usr/share/man/man1/run_mopac7.1.gz

RUN_MOPAC(1)                   MOPAC7                   RUN_MOPAC(1)



NAME
       run_mopac7 - invoke mopac7 program


SYNOPSIS
       run_mopac7 name


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

       run_mopac7  will read input from name.dat an
more»

/usr/share/doc/mopac7-bin/changelog.Debian.gz

mopac7 (1.15-4) unstable; urgency=low

  * debian/rules (Build-Depends): Added dpatch.
  * debian/pa
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/usr/share/doc/mopac7-bin/changelog.gz

2006-04-24 14:50  thassine

	* Makefile.am, configure, configure.ac, tests/.cvsignore,
	  tests/Make
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/usr/share/doc/mopac7-bin/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/mopac7-bin/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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