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Update examples to use Python API constants

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This commit is contained in:
Richard Berger
2020-09-16 16:10:43 -04:00
parent c82df186b5
commit e6703019bc
4 changed files with 33 additions and 34 deletions
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14
python/examples/demo.py
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@ -16,7 +16,7 @@ if len(argv) != 1:
print("Syntax: demo.py")
sys.exit()
from lammps import lammps
from lammps import lammps, LAMMPS_INT, LAMMPS_DOUBLE, LAMMPS_DOUBLE2D, LMP_STYLE_GLOBAL, LMP_VAR_EQUAL, LMP_VAR_ATOM
lmp = lammps()
# test out various library functions after running in.demo
@ -25,18 +25,18 @@ lmp.file("in.demo")
print("\nPython output:")
natoms = lmp.extract_global("natoms",0)
mass = lmp.extract_atom("mass",2)
x = lmp.extract_atom("x",3)
natoms = lmp.extract_global("natoms", LAMMPS_INT)
mass = lmp.extract_atom("mass", LAMMPS_DOUBLE)
x = lmp.extract_atom("x", LAMMPS_DOUBLE2D)
print("Natoms, mass, x[0][0] coord =",natoms,mass[1],x[0][0])
temp = lmp.extract_compute("thermo_temp",0,0)
temp = lmp.extract_compute("thermo_temp", LMP_STYLE_GLOBAL, LAMMPS_INT)
print("Temperature from compute =",temp)
eng = lmp.extract_variable("eng",None,0)
eng = lmp.extract_variable("eng",None, LMP_VAR_EQUAL)
print("Energy from equal-style variable =",eng)
vy = lmp.extract_variable("vy","all",1)
vy = lmp.extract_variable("vy","all", LMP_VAR_ATOM)
print("Velocity component from atom-style variable =",vy[1])
vol = lmp.get_thermo("vol")