From d83041222868537fbfdae824c6939e13db985103 Mon Sep 17 00:00:00 2001 From: Eddy Barraud Date: Mon, 24 Mar 2025 16:04:40 +0100 Subject: [PATCH] added boolean the read_data is not reading slater boolean of pair_coeff --- .../dpd_coul_slater_long/in.dpd_coul_slater_long | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/examples/PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long b/examples/PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long index bd405aad37..e683855b0d 100644 --- a/examples/PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long +++ b/examples/PACKAGES/dpd-basic/dpd_coul_slater_long/in.dpd_coul_slater_long @@ -30,11 +30,16 @@ comm_modify vel yes # store info of ghost atoms btw processors # Define pair style and coefficients 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 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 neighbor 1.0 bin neigh_modify every 1 delay 0 check yes