Hi everyone, In the eff package, I modified the code to add separate thermostats for the translation motion of electrons and nucleis. However, the electrons have a radial motion. I want to add a thermostat for it. Should I add a new fix and a new compute_temp file to the package? Regards Zhou 1 post - 1 participant Read full topic

I am developing a new fix, say fix custom_force, that adds forces on atoms. For that I need to store some atom attributes which I do by using fix property/atom within my fix custom_force. Now I also have to add and delete atoms and need to write a new fix, say fix add_delete, that does that based on certain criteria. My question is once I delete and add atoms (i.e. change the total…

Dear All, Would anyone please tell me how to use Fortran code to generate the structure file in the gzipped format for the ‘read_data’ command in LAMMPS simulation? I mean what is the format of this gzipped file? Is it just a simple binary file or something else? Thank you in advance. 1 post - 1 participant Read full topic