diff --git a/examples/python/in.fix_python_invoke b/examples/python/in.fix_python_invoke index f77cc15c90..ac435762c5 100644 --- a/examples/python/in.fix_python_invoke +++ b/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) """ diff --git a/python/examples/demo.py b/python/examples/demo.py index 15337fd15f..1561f2ebd2 100755 --- a/python/examples/demo.py +++ b/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) diff --git a/python/examples/mc.py b/python/examples/mc.py index c42d7e7e78..b046dc9530 100755 --- a/python/examples/mc.py +++ b/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: diff --git a/python/examples/simple.py b/python/examples/simple.py index 632dde9ed3..9f85d8b4df 100755 --- a/python/examples/simple.py +++ b/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) diff --git a/python/examples/split.py b/python/examples/split.py index 77e605092e..bd2896c004 100755 --- a/python/examples/split.py +++ b/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)