From 2d45e3340fc3515900ad51a29a9990d424aa3af0 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Wed, 27 Apr 2022 15:14:02 -0400
Subject: [PATCH] move sources and examples for smatb styles to SMTBQ package
 folders

---
 .../{smatb => PACKAGES/smtbq}/AgCuPancake.data   |  0
 .../smtbq}/in.smatbAgCuPancake                   |  0
 .../{smatb => PACKAGES/smtbq}/in.smatbBulkFCC    |  0
 .../smtbq}/log.27Oct21.smatbAgCuPancake.g++      |  0
 .../smtbq}/log.27Oct21.smatbBulkFCC.g++          |  0
 src/.gitignore                                   |  4 ++++
 src/SMTBQ/README                                 | 16 ----------------
 src/{ => SMTBQ}/pair_smatb.cpp                   |  0
 src/{ => SMTBQ}/pair_smatb.h                     |  0
 src/{ => SMTBQ}/pair_smatb_single.cpp            |  0
 src/{ => SMTBQ}/pair_smatb_single.h              |  0
 11 files changed, 4 insertions(+), 16 deletions(-)
 rename examples/{smatb => PACKAGES/smtbq}/AgCuPancake.data (100%)
 rename examples/{smatb => PACKAGES/smtbq}/in.smatbAgCuPancake (100%)
 rename examples/{smatb => PACKAGES/smtbq}/in.smatbBulkFCC (100%)
 rename examples/{smatb => PACKAGES/smtbq}/log.27Oct21.smatbAgCuPancake.g++ (100%)
 rename examples/{smatb => PACKAGES/smtbq}/log.27Oct21.smatbBulkFCC.g++ (100%)
 delete mode 100644 src/SMTBQ/README
 rename src/{ => SMTBQ}/pair_smatb.cpp (100%)
 rename src/{ => SMTBQ}/pair_smatb.h (100%)
 rename src/{ => SMTBQ}/pair_smatb_single.cpp (100%)
 rename src/{ => SMTBQ}/pair_smatb_single.h (100%)

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