lammps/tools/lmp2cfg
sjplimp 60c7f745b9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
..
examples git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
README.txt git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00
lmp2cfg.f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@27 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:51:49 +00:00

README.txt

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README.txt



lmp2cfg



Version 1.0

Ara Kooser

8/1/04



Contents

I.   Before you start

II.  Introduction

III. Compiling the program

IV.  Running the program





I. Before you start



1) Read the READMEFIRST file

2) You will need either f77 or g77 compiler

3) A text editor (VI or emacs)

4) AtomEye( http://164.107.79.177/Archive/Graphics/A/) good as of 8/1/04

5) A sense of adventure and humor





II. Introduction



The lmp2cfg program converts a LAMMPS atom dump file into a series of .cfg

files.(000001.cfg, 000002.cfg,...). These files can be read into AtomEye

and made into a movie or viewed indivdually.





III. Compiling the program



The program should comply with either command f77 lmp2cfg.f or

g77 lmp2cfg.f



IV. Running the program



You need to create a user input file. In the examples folder you will find

an example input script, LAMMPS dump file, and the correct .cfg output. 

The input script reads like this:



7              #number of atom types in your LAMMPS file       

'dump.atom'    #name of the LAMMPS dump file, you need the ' '

1              #first frame

10             #last frame

1              #first atom type

26.98154       #atomic weight

'ao'           #atom name

2              #second atom type

15.9994        #atomic weight

'oh'           #atom name

 



Make sure the input file and the atom dump file are in the same folder.

On the command line type



lmp2cfg < input_file.txt > out



You should get several .cfg files. For reading into AtomEye and making

movies see the AtomEye homepage.