Update examples

examples/python/in.fix_python_invoke

@@ -23,12 +23,12 @@ from lammps import lammps
 
 def end_of_step_callback(lmp):
   L = lammps(ptr=lmp)
-  t = L.extract_global("ntimestep", 0)
+  t = L.extract_global("ntimestep")
   print("### END OF STEP ###", t)
 
 def post_force_callback(lmp, v):
   L = lammps(ptr=lmp)
-  t = L.extract_global("ntimestep", 0)
+  t = L.extract_global("ntimestep")
   print("### POST_FORCE ###", t)
 """
 

python/examples/demo.py

@@ -25,9 +25,9 @@ lmp.file("in.demo")
 
 print("\nPython output:")
 
-natoms = lmp.extract_global("natoms", LAMMPS_INT)
-mass = lmp.extract_atom("mass", LAMMPS_DOUBLE)
-x = lmp.extract_atom("x", LAMMPS_DOUBLE2D)
+natoms = lmp.extract_global("natoms")
+mass = lmp.extract_atom("mass")
+x = lmp.extract_atom("x")
 print("Natoms, mass, x[0][0] coord =",natoms,mass[1],x[0][0])
 
 temp = lmp.extract_compute("thermo_temp", LMP_STYLE_GLOBAL, LAMMPS_INT)

python/examples/mc.py

@@ -42,14 +42,14 @@ lmp.command("variable e equal pe")
 
 lmp.command("run 0")
 
-natoms = lmp.extract_global("natoms",LAMMPS_INT)
+natoms = lmp.extract_global("natoms")
 emin = lmp.extract_compute("thermo_pe",LMP_STYLE_GLOBAL,LAMMPS_INT) / natoms
 lmp.command("variable emin equal $e")
 
 # disorder the system
 # estart = initial energy
 
-x = lmp.extract_atom("x", LAMMPS_DOUBLE2D)
+x = lmp.extract_atom("x")
 
 for i in range(natoms):
   x[i][0] += deltaperturb * (2*random.random()-1)
@@ -58,7 +58,7 @@ for i in range(natoms):
 lmp.command("variable elast equal $e")
 lmp.command("thermo_style custom step v_emin v_elast pe")
 lmp.command("run 0")
-x = lmp.extract_atom("x", LAMMPS_DOUBLE2D)
+x = lmp.extract_atom("x")
 lmp.command("variable elast equal $e")
   
 estart = lmp.extract_compute("thermo_pe", LMP_STYLE_GLOBAL, LAMMPS_INT) / natoms
@@ -78,7 +78,7 @@ for i in range(nloop):
   x[iatom][1] += deltamove * (2*random.random()-1)
 
   lmp.command("run 1 pre no post no")
-  x = lmp.extract_atom("x", LAMMPS_DOUBLE2D)
+  x = lmp.extract_atom("x")
   e = lmp.extract_compute("thermo_pe", LMP_STYLE_GLOBAL, LAMMPS_INT) / natoms
 
   if e <= elast:

python/examples/simple.py

@@ -61,7 +61,7 @@ lmp.command("run 1");
 
 # extract force on single atom two different ways
 
-f = lmp.extract_atom("f",3)
+f = lmp.extract_atom("f")
 print("Force on 1 atom via extract_atom: ",f[0][0])
 
 fx = lmp.extract_variable("fx","all",1)

python/examples/split.py

@@ -57,7 +57,7 @@ if color == 0:
   lmp.scatter_atoms("x",1,3,x)
   lmp.command("run 1");
 
-  f = lmp.extract_atom("f",3)
+  f = lmp.extract_atom("f")
   print("Force on 1 atom via extract_atom: ",f[0][0])
 
   fx = lmp.extract_variable("fx","all",1)