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added boolean

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the read_data is not reading slater boolean of pair_coeff
This commit is contained in:
Eddy Barraud
2025-03-24 16:04:40 +01:00
parent bbd057891a
commit d830412228
1 changed files with 7 additions and 2 deletions
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9
examples/PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long
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@ -30,11 +30,16 @@ comm_modify vel yes # store info of ghost atoms btw processors
# Define pair style and coefficients # Define pair style and coefficients
pair_style dpd/coul/slater/long ${T} ${cut_DPD} ${seed} ${lambda} ${cut_coul} pair_style dpd/coul/slater/long ${T} ${cut_DPD} ${seed} ${lambda} ${cut_coul}
read_data data.dpd_coul_slater_long
# Enable long range electrostatics solver # Enable long range electrostatics solver
kspace_style pppm 1e-04 kspace_style pppm 1e-04
read_data data.dpd_coul_slater_long
pair_coeff * * 78.0 4.5
pair_coeff 2*3 2*3 78.0 4.5 yes
# Construct neighbors every steps # Construct neighbors every steps
neighbor 1.0 bin neighbor 1.0 bin
neigh_modify every 1 delay 0 check yes neigh_modify every 1 delay 0 check yes