Revision as of 09:20, 3 September 2014

Reading Assignment

• Algorithms, Chapters 1-2
  • focus on tree data structures (formal complexity next week)
  • ignore python 'Class' for now

Class 1: Intermediate shell utilities

• commands
  • cat
  • grep
  • sort
  • head / tail
  • tr, sed
  • find
  • w, top, last
• shell variables
• control flow
  • pipes, &&, ||
  • for loops

Class 2: Python vs. shell

• Reading / Writing Files
• Advanced control structures (list comprehensions)
• Code profiling
• Hash tables
• Graphs

Homework 2 - due Monday, Sept. 15

• Coding problems:
  • Write a loop to sum 100 random numbers (import random, random.random()) using each of the following control structures: for, while, list and `tuple` comprehension.
  • Write a shell loop to save 100 numbers from $RANDOM to a file, writing one number per line.
  • Write a shell loop to sum files with 1 number per line.
  • Write python and shell programs to print the smallest 10 numbers from such a file.
  • Write a text processing script using sed to get the numbers for the following quantities from File:Multiwfn.out
    1. Basin electric monopole moment: (1 number for ea. line)
    2. Basin electric dipole moment: and Basin electron contribution to molecular dipole moment: (3 numbers from ea. line tagged X=, etc)