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lammps/examples/USER/yaff
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Steven Vandenbrande 60b137f241 Add examples for the USER-YAFF package 2019-01-22 10:09:10 +01:00
..
mil53al Add examples for the USER-YAFF package 2019-01-22 10:09:10 +01:00
mof5 Add examples for the USER-YAFF package 2019-01-22 10:09:10 +01:00
README Add examples for the USER-YAFF package 2019-01-22 10:09:10 +01:00

README 

mof5:
    NPT simulation of MOF5 using a QuickFF force field

mil53al:
    NPT simulation of MIL-53(Al) using a QuickFF force field.
    If the pressure is high enough (for instance 2000 atm),
    a phase transition from large pore to narrow pore is observed