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	MIYAMOTO:1.1.1;
locks; strict;
comment	@# @;


1.3
date	2006.07.03.04.41.35;	author maho;	state Exp;
branches;
next	1.2;

1.2
date	2000.06.07.16.20.59;	author will;	state Exp;
branches;
next	1.1;

1.1
date	99.05.06.08.23.21;	author taoka;	state Exp;
branches
	1.1.1.1;
next	;

1.1.1.1
date	99.05.06.08.23.21;	author taoka;	state Exp;
branches;
next	;


desc
@@


1.3
log
@Update to 1.10 (maintained by others) and unbreak.
@
text
@MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3)
quantum-chemical calculation written by James J. P. Stewart and co-workers.

WWW: http://sourceforge.net/projects/mopac7/
@


1.2
log
@Convert to usable F77 binary, especially on 4.0 and newer.

PR:		19090
Submitted by:	MAINTAINER
@
text
@d1 2
a2 3
This is a port of MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) 
molecular orbital calculation. 
Public domain version of MOPAC93. 
d4 1
a4 12
This port uses Linux patch. 

Minematsu makes FreeBSD patchs, and Miyamoto is porting them.
And enlarging max atoms as  MAXHEV=50 & MAXLIT=50.

Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions 
have been assisted greatly by Glenn Johnson <gjohnson@@nola.srrc.usda.gov>, 
thanks a lot !
He found that an unusable binary was produced using g77 at FreeBSD 4,
then it is recommended to use f2c/cc.
--
rmiya
@


1.1
log
@Initial revision
@
text
@d9 6
@


1.1.1.1
log
@Semi-empirical (MNDO, etc.) molecular orbital calculation

PR:             ports/8863
Submitted by:   Ryo MIYAMOTO rmiya@@cc.hirosaki-u.ac.jp
@
text
@@
