bond/break

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1

Hi,

I have some queries regarding the bond/break command .

1. As it is documented in LAMMPS site :"This fix is part of the MC
package. It is only enabled if LAMMPS was built with that
package....Currently, there are 2 restrictions for using this fix".

So what exact package is required for this command to work with ?

2. Now,say,I have a system where 'the no of bond types'='no of bonds'.
   And moreover all the bonds have different bond length.

For this case if I want to impose bond/break, I have to mention the
'bond-type' in the fix. Basically it has to be executed over all bond
types.then what value have to be written ?

Any comment is welcome.

Thanking you,

Best,

2

Hi,

  I have some queries regarding the bond/break command .

  1. As it is documented in LAMMPS site :"This fix is part of the MC
package. It is only enabled if LAMMPS was built with that
package....Currently, there are 2 restrictions for using this fix".

  So what exact package is required for this command to work with ?

You need the 'mc' package. For instructions about how to build LAMMPS with optional packages (Linux):
http://lammps.sandia.gov/doc/Section_start.html#start_3_2
You can also play with 'make' in your source directory.

  2. Now,say,I have a system where 'the no of bond types'='no of bonds'.
    And moreover all the bonds have different bond length.

  For this case if I want to impose bond/break, I have to mention the
'bond-type' in the fix. Basically it has to be executed over all bond
  types.then what value have to be written ?

  Any comment is welcome.

Thanking you,

Best,
******************
Saikat Basu
Junior Research Fellow
Department of Solid State Physics
IACS,Kolkata
Kolkata-700032
Ph no- 03324734971(extn- 2114)

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I don't know 'bond/break', so I'll leave it to someone else to answer point 2.

Samuel Palato

3

For the second answer,
If you want to all bond types to be eligible then have the fix multiple times with different values of bond_type.

Regards
Vikas