amber-developers: AMBER Manual and Code Documentation

From: Martin Peters <>
Date: Wed, 28 Feb 2007 17:57:03 -0500


Here are some suggestions regarding a new AMBER manual and code

1) Manual
With DCQPT we use texinfo. This can make pdf and html files which
are cross referenced (see divcon.pdf and divcon.html below). All
texinfo files can be found under the dcqtp/info directory.

2) Programmers guide:
At UF Duane Williams created a perl script (dcqtp/info/progGuide/
directory) to generate documentation for DCQTP where we strip out all
the documentation from the source code. DCQTP is in F90 but the
script could be extended to other language (see progGuide.pdf for an
example). We added special comments (see below) to the code which the
script parses to produce texinfo files that are then converted to pdf
or html. The script handles subroutines, functions, modules and
tracks call statements. The manual is similar to that produced by

Fortran code:
! This is a comment!

All the best,


Martin B. Peters
Graduate Student, Merz Group
Department of Chemistry
Quantum Theory Project
2240 New Physics Building
PO Box 118435
University of Florida
Gainesville, Florida 32611-8436

Received on Sun Mar 04 2007 - 06:07:25 PST
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