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lmp2cfg.f |
README.txt
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.