Commit 610ae1ef by Francois Gygi

BO MD example


git-svn-id: http://qboxcode.org/svn/qb/trunk@1231 cba15fb0-1239-40c8-b417-11db7ca47a34
parent 171ff43b
include ../Makefile.inc
all: test.r
clean:
rm -f test.r test.xml
test.r: test.i
$(QBOX_CMD) $^ > $@
../potentials/Si_VBC_LDA-1.0.xml
\ No newline at end of file
../../xml/sample.xsd
\ No newline at end of file
../../xml/species.xsd
\ No newline at end of file
# Si4 BO dynamics
load ../si4gs/test.xml
set wf_dyn PSDA
set ecutprec 2
set atoms_dyn MD
set dt 40
run 50 5
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