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new library functions

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This commit is contained in:
Steve Plimpton
2016-10-27 09:34:04 -06:00
parent efaa8feab5
commit d9891abdf4
44 changed files with 1341 additions and 211 deletions
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8
doc/src/Section_python.txt
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@ -550,7 +550,8 @@ version = lmp.version() # return the numerical version id, e.g. LAMMPS 2 Sep 20
lmp.file(file) # run an entire input script, file = "in.lj"
lmp.command(cmd) # invoke a single LAMMPS command, cmd = "run 100" :pre
lmp.commands_list(cmdlist) # invoke commands in cmdlist
lmp.commands_list(cmdlist) # invoke commands in cmdlist = ["run 10", "run 20"]
lmp.commands_string(multicmd) # invoke commands in multicmd = "run 10\nrun 20"
xlo = lmp.extract_global(name,type) # extract a global quantity
# name = "boxxlo", "nlocal", etc
@ -631,8 +632,9 @@ lmp2 = lammps()
lmp1.file("in.file1")
lmp2.file("in.file2") :pre
The file() and command() methods allow an input script or single
commands to be invoked.
The file(), command(), commands_list(), commands_string() methods
allow an input script, a single command, or multiple commands to be
invoked.
The extract_global(), extract_atom(), extract_compute(),
extract_fix(), and extract_variable() methods return values or