Commit 8d051ce4 by Francois Gygi

Added -range option to cell.plt and econste_cmp.plt

parent f030ffc0
#!/bin/bash #!/bin/bash
# cell.plt: plot cell parameters during an MD simulation # cell.plt: plot cell parameters during an MD simulation
if [ $1 == "-range" ]
then
range=$2
shift 2
fi
gnuplot -persist <<EOF gnuplot -persist <<EOF
plot "<grep -h -A3 '<unit_cell' $* | grep a=" u 2 w l, \ plot $range "<grep -h -A3 '<unit_cell' $* | grep a=" u 2 w l, \
"<grep -h -A3 '<unit_cell' $* | grep a=" u 3 w l, \ "<grep -h -A3 '<unit_cell' $* | grep a=" u 3 w l, \
"<grep -h -A3 '<unit_cell' $* | grep a=" u 4 w l, \ "<grep -h -A3 '<unit_cell' $* | grep a=" u 4 w l, \
"<grep -h -A3 '<unit_cell' $* | grep b=" u 2 w l, \ "<grep -h -A3 '<unit_cell' $* | grep b=" u 2 w l, \
......
#!/bin/bash #!/bin/bash
# econste_cmp.plt: compare <econst> and <etotal> in two MD simulations # econste_cmp.plt: compare <econst> and <etotal> in two MD simulations
# use: econste_cmp.plt mdrun1.r mdrun2.r # use: econste_cmp.plt mdrun1.r mdrun2.r
if [ $1 == "-range" ]
then
range=$2
shift 2
fi
gnuplot -persist <<EOF gnuplot -persist <<EOF
p "<grep -h econst $1" u 2 w l, "<grep -h '<etotal>' $1" u 2 w l, \ p $range "<grep -h econst $1" u 2 w l, "<grep -h '<etotal>' $1" u 2 w l, \
"<grep -h econst $2" u 2 w l, "<grep -h '<etotal>' $2" u 2 w l "<grep -h econst $2" u 2 w l, "<grep -h '<etotal>' $2" u 2 w l
EOF EOF
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