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[lammps-users] How to output resultant using "fix reax/c/bond" command?
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[lammps-users] How to output resultant using "fix reax/c/bond" command?


From: 吴胜 <ws930819@...6040...>
Date: Wed, 22 Nov 2017 21:59:10 +0800 (GMT+08:00)

Hi everyone,
In my research, i usually use "fix reaxc/c/species" command to output the resultant. But rescently i am calculating the Pd catalyst. So the "fix reaxc/c/species" command can not be used anymore. I want to output the resultant,so i am wondering how can i deal with the "fix reax/c/bond" to output the resultant i need. Should i write a script using perl? Or is there any script already existed? Thanks a lot.
                                                                                                                                            Danny bootman
                                                                                                                                             Best wishes