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move kspace style definition after reading the data file to comply with needs of recent LAMMPS versions

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Axel Kohlmeyer
2024-09-06 07:25:52 -04:00
parent 683643c248
commit 93de00f649
1 changed files with 1 additions and 1 deletions
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tools/msi2lmp/test/in.PyAC_bulk-clayff
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@ -5,9 +5,9 @@ atom_style full
pair_style lj/cut/coul/long 15.0 pair_style lj/cut/coul/long 15.0
pair_modify mix geometric pair_modify mix geometric
bond_style harmonic bond_style harmonic
kspace_style pppm 1.0e-5
read_data PyAC_bulk-clayff.data read_data PyAC_bulk-clayff.data
kspace_style pppm 1.0e-5
thermo_style multi thermo_style multi
minimize 0.0 0.0 100 1000 minimize 0.0 0.0 100 1000