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#!/bin/bash
. ../MasterTest.sh
CleanFiles vectors.dat dotproduct.dat corr.in v1init_dot_v1.dat
INPUT="corr.in"
TOP=../tz2.parm7
TESTNAME='Vector dot/cross product test'
Requires netcdf
# Dot/cross products
cat > corr.in <<EOF
readdata v1initial.dat vector
trajin ../tz2.nc
vector v1 :2 :4 #out vectors.dat
vector v2 :12 :10 #out vectors.dat
vectormath vec1 v1 vec2 v2 dotproduct out dotproduct.dat name V1*V2
vectormath vec1 v1 vec2 v2 dotproduct norm out dotproduct.dat name |V1|*|V2|
vectormath vec1 v1 vec2 v2 dotangle out dotproduct.dat name acos(|V1|*|V2|)
vectormath vec1 v1 vec2 v2 crossproduct out dotproduct.dat name |V1|x|V2|
vectormath vec1 v1initial.dat vec2 v1 dotangle out v1init_dot_v1.dat name V1o_V1_ang
EOF
RunCpptraj "$TESTNAME"
DoTest dotproduct.dat.save dotproduct.dat
DoTest v1init_dot_v1.dat.save v1init_dot_v1.dat
EndTest
exit 0
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