BO MD example

git-svn-id: http://qboxcode.org/svn/qb/trunk@1231 cba15fb0-1239-40c8-b417-11db7ca47a34

test/si4bomd/Makefile

+include ../Makefile.inc
+all: test.r
+clean:
+	rm -f test.r test.xml
+
+test.r: test.i
+	$(QBOX_CMD) $^ > $@

test/si4bomd/Si_VBC_LDA-1.0.xml

+../potentials/Si_VBC_LDA-1.0.xml
\ No newline at end of file

test/si4bomd/sample.xsd

+../../xml/sample.xsd
\ No newline at end of file

test/si4bomd/species.xsd

+../../xml/species.xsd
\ No newline at end of file

test/si4bomd/test.i

+# Si4 BO dynamics
+load ../si4gs/test.xml
+set wf_dyn PSDA
+set ecutprec 2
+set atoms_dyn MD
+set dt 40
+run 50 5