About Streitz-Mintmire Potential and Variable Charge Equilibration

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1

Hi dear LAMMPS team,

   I was browsing through the archive of the 2013 workshop, and found from Mr. Ray
Shan's talk that LAMMPS is about to release the original Streitz-Mintmire potential.
   Could you please tell me any tentative release date?
   Is there any other method in LAMMPS to achieve Variable Charge reaction between metal and oxygen ?
   Do "fix qeq/sm" method and "pair_style hybrid/overlay" commands help?
Thanks for your patience.
Xing Lu

2014-05-07

star628

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Xing,

   Could you please tell me any tentative release date?

It will be soon - sometime this month.

   Is there any other method in LAMMPS to achieve Variable Charge reaction
between metal and oxygen ?

Yes, see fix qeq/reax.

   Do "fix qeq/sm" method and "pair_style hybrid/overlay" commands help?

Fix qeq/sm does not exist and hybrid/overlay is something totally different.

Ray