Purpose:
Read LAMMPS log files and extract thermodynamic data.
Description:
Read one or more LAMMPS log files and combine their thermodynamic data into long, named vectors (versus time). The vectors can be used in Python for further processing and plotting, or they can be output to a file.
The log constructor reads one or more log files. If 2 arguments are specified, a single file is specified, and it can be read incrementally (e.g. as it is created) by the next() method.
The nvec, nlen, and names values give the # of vectors, their length, and names. The get() method returns one of more vectors as a Python list. The write() method outputs the numeric vectors to a file.
Usage:
l = log("file1") read in one or more log files
l = log("log1 log2.gz") can be gzipped
l = log("file*") wildcard expands to multiple files
l = log("log.lammps",0) two args = store filename, but don't read
incomplete and duplicate thermo entries are deleted
time = l.next() read new thermo info from file
used with 2-argument constructor to allow reading thermo incrementally return time stamp of last thermo read return -1 if no new thermo since last read
nvec = l.nvec # of vectors of thermo info
nlen = l.nlen length of each vectors
names = l.names list of vector names
t,pe,... = l.get("Time","KE",...) return one or more vectors of values
l.write("file.txt") write all vectors to a file
l.write("file.txt","Time","PE",...) write listed vectors to a file
get and write allow abbreviated (uniquely) vector names
Related tools:
Prerequisites: none