added -range option to plot scripts

git-svn-id: http://qboxcode.org/svn/qb/trunk@1804 cba15fb0-1239-40c8-b417-11db7ca47a34

util/econst.plt

 #!/bin/bash
-# econst.plt: plot <econst> in one or more MD simulations
-# use: econst.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-fit a*x+b "<grep -h econst $*" u 0:2 via a,b
-fit c "<grep -h econst $*" u 0:2 via c
-p "<grep -h econst $*" u 2 w l, a*x+b, c
+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
+p $range "<grep -h econst $*" u 2 w l, a*x+b, c
 print "Econst_avg=",c,"   dE/dt=",a
 EOF

util/econst_cmp.plt

 #!/bin/bash
-# econst_cmp.plt: compare <econst> in two MD simulations
-# use: econst_cmp.plt mdrun1.r mdrun2.r
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-plot "<grep '<econst>' $1" u 2 w l, "<grep '<econst>' $2" u 2 w l
+plot $range "<grep econst $1" u 2 w l, "<grep econst $2" u 2 w l
 EOF

util/econste.plt

 #!/bin/bash
-# econste.plt: plot <econst> and <etotal> in one or more MD simulations
-# use: econste.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-p "<grep -h econst $*" u 2 w l, "<grep -h '<etotal>' $*" u 2 w l
+p $range "<grep -h econst $*" u 2 w l, "<grep -h '<etotal>' $*" u 2 w l
 EOF

util/econste_cp.plt

+#!/bin/bash
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
+gnuplot -persist <<EOF
+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

util/eigsum.plt

+#!/bin/bash
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
+gnuplot -persist <<EOF
+plot $range "<grep -h eigenvalue_sum $*" u 2 w l
+EOF

util/enthalpy_int.plt

+#!/bin/bash
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
+gnuplot -persist <<EOF
+plot $range "<grep -h enthalpy $*" u 2 w l
+EOF

util/etotal.plt

 #!/bin/bash
-# etotal.plt: plot <etotal> in one or more simulations
-# use: etotal.plt run1.r [run2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-plot "<grep -h '<etotal>' $*" u 2 w l
+plot $range "<grep -h '<etotal>' $*" u 2 w l
 EOF

util/etotal_cmp.plt

 #!/bin/bash
-# etotal_cmp.plt: compare <etotal> in two MD simulations
-# use: etotal_cmp.plt mdrun1.r mdrun2.r
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-set grid
-plot "<grep '<etotal>' $1" u 2 w l, "<grep '<etotal>' $2" u 2 w l
+plot $range "<grep '<etotal>' $1" u 2 w l, "<grep '<etotal>' $2" u 2 w l
 EOF

util/etotal_int.plt

 #!/bin/bash
-# etotal_int.plt: plot <etotal_int> in one or more simulations
-# use: etotal_int.plt run1.r  [run2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-plot "<grep -h etotal $*" u 2 w l
+set grid
+plot $range "<grep -h etotal_int $*" u 2 w l
 EOF

util/etotal_int_cmp.plt

 #!/bin/bash
-# etotal_int_cmp.plt: compare <etotal_int> in two simulations
-# use: etotal_int_cmp.plt run1.r run2.r
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-plot "<grep '<etotal_int>' $1" u 2 w l, "<grep '<etotal_int>' $2" u 2 w l
+plot $range "<grep etotal $1" u 2 w l, "<grep etotal $2" u 2 w l
 EOF

util/force.plt

 #!/bin/bash
-# force.plt: plot all components of ionic forces in one or more simulations
-# use: force.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-p "<grep -h force $*" u 2, "" u 3, "" u 4, 0
+p $range "<grep -h force $*" u 2, "" u 3, "" u 4, 0
 EOF

util/sigma.plt

 #!/bin/bash
-# sigma.plt: plot stress tensor components in one or more simulations
-# use: sigma.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-plot "<grep -h sigma_xx $*" u 2 w l, "<grep -h sigma_yy $*" u 2 w l, \
+plot $range "<grep -h sigma_xx $*" u 2 w l, "<grep -h sigma_yy $*" u 2 w l, \
 "<grep -h sigma_zz $*" u 2 w l, "<grep -h sigma_xy $*" u 2 w l, \
 "<grep -h sigma_yz $*" u 2 w l, "<grep -h sigma_xz $*" u 2 w l, 0
-fit sxx "<grep -h '<sigma_xx' $*" u 0:2 via sxx
-fit syy "<grep -h '<sigma_yy' $*" u 0:2 via syy
-fit szz "<grep -h '<sigma_zz' $*" u 0:2 via szz
-fit sxy "<grep -h '<sigma_xy' $*" u 0:2 via sxy
-fit syz "<grep -h '<sigma_yz' $*" u 0:2 via syz
-fit sxz "<grep -h '<sigma_xz' $*" u 0:2 via sxz
-print "avg sxx: ", sxx
-print "avg syy: ", syy
-print "avg szz: ", szz
-print "avg sxy: ", sxy
-print "avg syz: ", syz
-print "avg sxz: ", sxz
 EOF

util/temp_ion.plt

 #!/bin/bash
-# temp_ion.plt: plot <temp_ion> in one or more MD simulations
-# use: temp_ion.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
-fit a*x+b "<grep -h temp_ion $*" u 0:2 via a,b
-fit c "<grep -h temp_ion $*" u 0:2 via c
-p "<grep -h temp_ion $*" u 2 w l, a*x+b, c
- print "Tavg=",c,"   dT/dt=",a
+fit $range a*x+b "<grep -h temp_ion $*" u 0:2 via a,b
+fit $range c "<grep -h temp_ion $*" u 0:2 via c
+p $range "<grep -h temp_ion $*" u 2 w l, a*x+b, c
+print "Tavg=",c,"   dT/dt=",a
 EOF

util/volume.plt

 #!/bin/bash
-# volume.plt: plot the unit cell volume during one or more MD simulations
-# use: volume.plt mdrun1.r [mdrun2.r ...]
+if [ $1 == "-range" ]
+then
+  range=$2
+  shift 2
+fi
 gnuplot -persist <<EOF
 set grid
-plot "<grep -h '<unit_cell_volume>' $*" u 2 w l
+plot $range "<grep -h '<unit_cell_volume>' $*" u 2 w l
 EOF