diff --git a/examples/smatb/AgCuPancake.data b/examples/PACKAGES/smtbq/AgCuPancake.data similarity index 100% rename from examples/smatb/AgCuPancake.data rename to examples/PACKAGES/smtbq/AgCuPancake.data diff --git a/examples/smatb/in.smatbAgCuPancake b/examples/PACKAGES/smtbq/in.smatbAgCuPancake similarity index 100% rename from examples/smatb/in.smatbAgCuPancake rename to examples/PACKAGES/smtbq/in.smatbAgCuPancake diff --git a/examples/smatb/in.smatbBulkFCC b/examples/PACKAGES/smtbq/in.smatbBulkFCC similarity index 100% rename from examples/smatb/in.smatbBulkFCC rename to examples/PACKAGES/smtbq/in.smatbBulkFCC diff --git a/examples/smatb/log.27Oct21.smatbAgCuPancake.g++ b/examples/PACKAGES/smtbq/log.27Oct21.smatbAgCuPancake.g++ similarity index 100% rename from examples/smatb/log.27Oct21.smatbAgCuPancake.g++ rename to examples/PACKAGES/smtbq/log.27Oct21.smatbAgCuPancake.g++ diff --git a/examples/smatb/log.27Oct21.smatbBulkFCC.g++ b/examples/PACKAGES/smtbq/log.27Oct21.smatbBulkFCC.g++ similarity index 100% rename from examples/smatb/log.27Oct21.smatbBulkFCC.g++ rename to examples/PACKAGES/smtbq/log.27Oct21.smatbBulkFCC.g++ diff --git a/src/.gitignore b/src/.gitignore index 80b4baa0e5..d5ed0343e7 100644 --- a/src/.gitignore +++ b/src/.gitignore @@ -1537,6 +1537,10 @@ /pair_mgpt.h /pair_morse_smooth_linear.cpp /pair_morse_smooth_linear.h +/pair_smatb.cpp +/pair_smatb.h +/pair_smatb_single.cpp +/pair_smatb_single.h /pair_smtbq.cpp /pair_smtbq.h /pair_vashishta*.cpp diff --git a/src/SMTBQ/README b/src/SMTBQ/README deleted file mode 100644 index 594df29ac6..0000000000 --- a/src/SMTBQ/README +++ /dev/null @@ -1,16 +0,0 @@ -This package implements the Second Moment Tight Binding - QEq (SMTB-Q) -potential for the description of ionocovalent bonds in oxides. - -Authors: Nicolas Salles, Emile Maras, Olivier Politano, Robert Tetot -at ICB, Universite de Bourgogne and ICMMO, Universite Paris-Sud. - -Contact emails: lammps@u-bourgogne.fr, nsalles33@gmail.com - -This package is occasionally maintained. - -See the doc page for the pair_style smtbq command to get started. - -There are potential files for this potential in the potentials dir. - -There are example scripts for using this package in -examples/PACKAGES/smtbq. diff --git a/src/pair_smatb.cpp b/src/SMTBQ/pair_smatb.cpp similarity index 100% rename from src/pair_smatb.cpp rename to src/SMTBQ/pair_smatb.cpp diff --git a/src/pair_smatb.h b/src/SMTBQ/pair_smatb.h similarity index 100% rename from src/pair_smatb.h rename to src/SMTBQ/pair_smatb.h diff --git a/src/pair_smatb_single.cpp b/src/SMTBQ/pair_smatb_single.cpp similarity index 100% rename from src/pair_smatb_single.cpp rename to src/SMTBQ/pair_smatb_single.cpp diff --git a/src/pair_smatb_single.h b/src/SMTBQ/pair_smatb_single.h similarity index 100% rename from src/pair_smatb_single.h rename to src/SMTBQ/pair_smatb_single.h