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2 changes: 2 additions & 0 deletions util/econst.plt
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,8 @@ fi
gnuplot -persist <<EOF
fit $range a*x+b "<grep -h econst $*" u 0:2 via a,b
fit $range c "<grep -h econst $*" u 0:2 via c
set xlabel "step"
set ylabel "energy (Ha)"
p $range "<grep -h econst $*" u 2 w l, a*x+b, c
print "Econst_avg=",c," dE/dt=",a
EOF
2 changes: 2 additions & 0 deletions util/econst_cmp.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
plot $range "<grep econst $1" u 2 w l, "<grep econst $2" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/econste.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
p $range "<grep -h econst $*" u 2 w l, "<grep -h '<etotal>' $*" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/econste_cmp.plt
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,8 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
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

Expand Down
2 changes: 2 additions & 0 deletions util/econste_cp.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
p $range "<grep -h econst $*" u 2 w l, "<grep -h '<etotal>' $*" u 2 w l, "<grep -h '<ekin_ec>' $*" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/etotal.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
plot $range "<grep -h '<etotal>' $*" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/etotal_cmp.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
plot $range "<grep '<etotal>' $1" u 2 w l, "<grep '<etotal>' $2" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/etotal_int.plt
Original file line number Diff line number Diff line change
Expand Up @@ -6,5 +6,7 @@ then
fi
gnuplot -persist <<EOF
set grid
set xlabel "step"
set ylabel "energy (Ha)"
plot $range "<grep -h etotal_int $*" u 2 w l
EOF
2 changes: 2 additions & 0 deletions util/etotal_int_cmp.plt
Original file line number Diff line number Diff line change
Expand Up @@ -5,5 +5,7 @@ then
shift 2
fi
gnuplot -persist <<EOF
set xlabel "step"
set ylabel "energy (Ha)"
plot $range "<grep etotal $1" u 2 w l, "<grep etotal $2" u 2 w l
EOF