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Merge pull request #112 from issp-center-dev/update_stdface
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Update stdface
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k-yoshimi authored May 31, 2021
2 parents 97db0ad + 9ba6979 commit 72d70df
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Showing 4 changed files with 52 additions and 1 deletion.
2 changes: 1 addition & 1 deletion src/StdFace/submodule
4 changes: 4 additions & 0 deletions test/CMakeLists.txt
100644 → 100755
Original file line number Diff line number Diff line change
Expand Up @@ -92,6 +92,10 @@ add_test(
NAME lobcg_spingc_honey
COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_spingc_honey.sh
)
add_test(
NAME lobcg_spingc_Sy
COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_spingc_Sy.sh
)
add_test(
NAME lobcg_spingc_hcor
COMMAND ${CMAKE_SOURCE_DIR}/test/lobcg_spingc_hcor.sh
Expand Down
47 changes: 47 additions & 0 deletions test/lobcg_spingc_Sy.sh
Original file line number Diff line number Diff line change
@@ -0,0 +1,47 @@
#!/bin/sh -e

mkdir -p lobcg_spingc_Sy/
cd lobcg_spingc_Sy

cat > stan.in <<EOF
model = SpinGC
method = CG
lattice = Honeycomb
W = 2
L = 2
J0y = -3
J0xy = 3
J1xz = 1
J2yz = 2
h = 0.2
Gamma = 0.5
exct = 1
LanczosEps = 16
EOF

${MPIRUN} ../../src/HPhi -sdry stan.in
cat > trans.def <<EOF
===
N 2
===
===
===
0 0 0 1 0.5 0.5
0 1 0 0 0.5 -0.5
EOF

${MPIRUN} ../../src/HPhi -e namelist.def

# Check value

cat > reference.dat <<EOF
0
-5.5492800776068707
0.0000000000000000
-0.2767359441047553
EOF
paste output/zvo_energy.dat reference.dat > paste.dat
diff=`awk 'BEGIN{diff=0.0} {diff+=sqrt(($2-$3)*($2-$3))} END{printf "%8.6f", diff}' paste.dat`
test "${diff}" = "0.000000"

exit $?
Empty file modified test/testTECalc.py
100644 → 100755
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