From a42365bf9028f27f8e4668508fd0e215c8f23b15 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 7 Aug 2020 00:05:34 -0400 Subject: [PATCH] add support enforce writing a data file with pair ij as required by sdk styles --- unittest/force-styles/test_pair_style.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/unittest/force-styles/test_pair_style.cpp b/unittest/force-styles/test_pair_style.cpp index f1ad5ce2e7..8bbc56b190 100644 --- a/unittest/force-styles/test_pair_style.cpp +++ b/unittest/force-styles/test_pair_style.cpp @@ -130,8 +130,9 @@ LAMMPS *init_lammps(int argc, char **argv, const TestConfig &cfg, const bool new } command("run 0 post no"); + command("variable write_data_pair index ii"); command("write_restart " + cfg.basename + ".restart"); - command("write_data " + cfg.basename + ".data"); + command("write_data " + cfg.basename + ".data pair ${write_data_pair}"); command("write_coeff " + cfg.basename + "-coeffs.in"); return lmp;