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LAMMPS kspace Powered By

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lammps kspace kspace style kspace modify

lamms Unrecognized Pair Style lj cut coul long

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lammps Unrecognized pair style lj cut coul long is part of the KSPACE package which is not enabled in this LAMMPS bina

Kspace Style Molecular

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BaSrTiO3 Buckingham potential BaSrTiO3 Kspace style

Using Kspace Solver On System With No Charge WARNING

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WARNING Using kspace solver on system with no chargeERROR Must use kspace modify gewald for uncharged system kspace style pppm 0 0001

k space

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Z boundary p p f charm pair style lj charmm coul long 8 10 pair modify mix arithmet

Lammps Lammps Error Running LAMMPS ERROR

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Error running LAMMPS ERROR Pair style buck coul long requires atom attribute q src KSPACE pair buck coul Jong cpp 356

Kspace style Pppm Molecular

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lammps pppm ewald

Read data Molecular Modeling

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SO2 SO2 NPT 328K 1atm 0 5ns p p p data

LAMMPS

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lammps pair style lj class2 coul long 10 0

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