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updated doc pages and code

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This commit is contained in:
Steve Plimpton
2025-05-19 14:34:22 -06:00
parent ebfb94a717
commit c3b25c8c27
12 changed files with 512 additions and 338 deletions
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examples/python/in.python.wrap
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@ -25,11 +25,10 @@ neigh_modify delay 0 every 20 check no
fix 1 all nve
variable foo python truncate
python truncate return v_foo input 1 v_pyarg1 format fi here """
python truncate return v_foo input 1 iv_arg format fi here """
def truncate(x):
return int(x)
"""
variable pyarg1 internal 0.0
variable scalar equal py_foo(4.5)
print "TRUNCATE ${scalar}"
@ -40,7 +39,6 @@ variable ztrunc atom py_foo(z)
# examine dump file to see truncated xyz coords of each atom
#dump 1 all custom 100 tmp.dump id x y z
dump 1 all custom 100 tmp.dump id x y z v_xtrunc v_ytrunc v_ztrunc
run 100