ReMoDy: Reactive Molecular Dynamics

Molecular dynamics simulation for kinetic reactions and interfacial chemistry

AUTHOR: Andrei V Smirnov, andrei.v.smirnov@gmail.com

URL: http://galacticbubble.com/remody


SUB-DIRECTORIES:

mp          - multi-processor version with local time-stepping scheme
sp          - single processor version with standard time-stepping scheme
doc         - documents directory
util        - some utilities for pre- and post-processing

IMPORTANT FILES:

remody.tgz                - TAR-gzipped archive of multi-processor version with local time-stepping scheme
doc/usersguide.pdf        - User's Guide (PDF)
doc/programmersguide.pdf  - Programmer's Guide (PDF)
doc/html/index.html       - Source-code documentaiton (HTML)

RETRIEVING FROM ARCHIVE:

tar xvzf remody.tbz

COMPILING:

- Single processor version:
	cd sp; make

- Multi processor version:
	cd mp; make


CONFIGURING INPUT:

Edit the input XML file (see documentation in /doc).


RUNNING:

cd run
./job

or for GUI version:

cd run
./gui -f job.xml

or:

./gui -f test.xml

depending on which case to run. 


DOCUMENTATION:

HTML

cd doc/html
firefox index.html &

PDF

cd doc/
acroread usersguide.pdf &
acroread programmersguide.pdf &

or start Adobe Acrobat reader and open a pdf-file above.



