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- 13:30, 27 February 2017 (diff | hist) . . (+50) . . m CompSciSpring2017 (→Notes)
- 13:21, 27 February 2017 (diff | hist) . . (+3,617) . . N Physics:Pairs (Created page with " = Two-Body Problems = This page explains the numerical simulation of two-body problems suitable for a first numerical simulation. The coordinates of two point particles ca...")
- 14:21, 22 February 2017 (diff | hist) . . (+1,034) . . CompSciSpring2017 (→Homework)
- 13:30, 22 February 2017 (diff | hist) . . (0) . . N File:Midterm2017.pdf (current)
- 13:29, 22 February 2017 (diff | hist) . . (-18) . . CompSciSpring2017 (→Projects)
- 13:21, 20 February 2017 (diff | hist) . . (+4) . . m CompSciSpring2017 (→Notes)
- 13:20, 20 February 2017 (diff | hist) . . (0) . . N File:NumpyArrays.pdf (current)
- 13:19, 20 February 2017 (diff | hist) . . (-3,344) . . CompSciSpring2017 (→Notes)
- 11:47, 17 February 2017 (diff | hist) . . (+166) . . N Code:FPU (Created page with "Fermi-Pasta Ulam System with 32 particles started with sin-wave initial conditions. <HTML5video width="600" height="400" autoplay="true" loop="true">fpu</HTML5video>") (current)
- 13:26, 13 February 2017 (diff | hist) . . (+2,762) . . CompSciSpring2017 (→Notes)
- 16:28, 8 February 2017 (diff | hist) . . (0) . . File:Week-5.2017.pdf (David M. Rogers uploaded a new version of "File:Week-5.2017.pdf") (current)
- 13:21, 8 February 2017 (diff | hist) . . (+1) . . CompSciSpring2017 (→Notes)
- 13:20, 8 February 2017 (diff | hist) . . (+12) . . N File:PlottingMaps.pdf (changed name) (current)
- 13:18, 8 February 2017 (diff | hist) . . (+41) . . CompSciSpring2017 (→Notes)
- 13:17, 8 February 2017 (diff | hist) . . (+72) . . CompSciSpring2017 (→Homework)
- 18:18, 6 February 2017 (diff | hist) . . (0) . . File:Week2-2017.pdf (David M. Rogers uploaded a new version of "File:Week2-2017.pdf") (current)
- 13:22, 6 February 2017 (diff | hist) . . (0) . . N File:Week-5.2017.pdf
- 13:22, 6 February 2017 (diff | hist) . . (+2) . . m CompSciSpring2017 (→Notes)
- 13:22, 6 February 2017 (diff | hist) . . (+61) . . CompSciSpring2017 (→Notes)
- 13:21, 6 February 2017 (diff | hist) . . (+1,223) . . N Code:PyTesting (Created page with "Use the following to get started with implementing your own dynamics programs. Focus on writing clean code, testing, and documentation with pseudocode. <source lang="python">...") (current)
- 14:48, 1 February 2017 (diff | hist) . . (+697) . . CompSciSpring2017 (→Notes)
- 13:10, 1 February 2017 (diff | hist) . . (+70) . . m Code (→Python Libraries) (current)
- 12:56, 1 February 2017 (diff | hist) . . (+179) . . CompSciSpring2017 (→Notes)
- 13:23, 25 January 2017 (diff | hist) . . (0) . . File:Week2-2017.pdf (David M. Rogers uploaded a new version of "File:Week2-2017.pdf")
- 12:55, 25 January 2017 (diff | hist) . . (+70) . . CompSciSpring2017 (→Notes)
- 13:31, 23 January 2017 (diff | hist) . . (0) . . File:Week2-2017.pdf (David M. Rogers uploaded a new version of "File:Week2-2017.pdf")
- 13:13, 18 January 2017 (diff | hist) . . (0) . . N File:Week2-2017.pdf
- 13:13, 18 January 2017 (diff | hist) . . (+28) . . CompSciSpring2017 (→Notes)
- 10:25, 18 January 2017 (diff | hist) . . (+73) . . m CompSciSpring2017 (→Homework)
- 11:54, 11 January 2017 (diff | hist) . . (-31) . . m CompSciSpring2017 (→Notes)
- 11:53, 11 January 2017 (diff | hist) . . (+1,202) . . N Turing Exercise (Created page with "= Class Exercise: Understanding Pseudocode and the Turing Machine = The Diffusion algorithm * Inputs: ** Two end temperatures (TL and TR) ** A list of 5 starting temperature...") (current)
- 11:50, 11 January 2017 (diff | hist) . . (+54) . . CompSciSpring2017 (→Notes)
- 11:41, 11 January 2017 (diff | hist) . . (0) . . Courses
- 11:41, 11 January 2017 (diff | hist) . . (+68) . . m Courses
- 11:15, 9 January 2017 (diff | hist) . . (+6,205) . . N CompSciSpring2017 (Created page with "'''<BIG>Introduction to Scientific Computing</BIG>''' Course Info * Course Numbers CHM 4932-004/6938-010, CRN: 21864/21865 * Credit Hours: 3 * Meeting Dates: January 9 - Apri...")
- 12:20, 4 January 2017 (diff | hist) . . (+59) . . m Silmaril
- 01:10, 4 January 2017 (diff | hist) . . (+225) . . Silmaril
- 13:46, 15 December 2016 (diff | hist) . . (+403) . . Code
- 13:30, 15 December 2016 (diff | hist) . . (+65) . . Code (→Tutorials)
- 16:55, 21 November 2016 (diff | hist) . . (+521) . . Code:gmxliquid
- 17:26, 27 September 2016 (diff | hist) . . (+1) . . m PChemFall2016
- 22:20, 20 September 2016 (diff | hist) . . (0) . . N File:Transforms.pdf (current)
- 22:20, 20 September 2016 (diff | hist) . . (+66) . . PChemFall2016 (→Resources)
- 22:19, 20 September 2016 (diff | hist) . . (0) . . Courses
- 20:54, 24 August 2016 (diff | hist) . . (-28) . . PChemFall2016
- 12:21, 22 August 2016 (diff | hist) . . (+3,503) . . N PChemFall2016 (Created page with "'''<BIG>Physical Chemistry I</BIG>''' Course Info * Course Numbers CHM 4410-001 * Credit Hours: 4 * Meeting Dates: Aug. 23 - Nov. 29, 2016 ** No Class Nov. 11, 24 or 25 * Mee...")
- 16:40, 28 July 2016 (diff | hist) . . (+2,025) . . Publications
- 11:57, 27 April 2016 (diff | hist) . . (0) . . N File:Week15.pdf (current)
- 11:56, 27 April 2016 (diff | hist) . . (+41) . . m CompSciSpring2016 (→Notes) (current)
- 12:53, 21 April 2016 (diff | hist) . . (+56) . . Main Page
- 11:15, 20 April 2016 (diff | hist) . . (0) . . N File:Week14.pdf (current)
- 11:15, 20 April 2016 (diff | hist) . . (+41) . . CompSciSpring2016 (→Notes)
- 12:23, 18 April 2016 (diff | hist) . . (+1,056) . . CompSciHW10 (current)
- 12:15, 18 April 2016 (diff | hist) . . (-6) . . m CompSciHW10
- 12:15, 18 April 2016 (diff | hist) . . (+2) . . m CompSciHW10
- 12:06, 18 April 2016 (diff | hist) . . (0) . . m CompSciSpring2016 (→Final)
- 15:02, 13 April 2016 (diff | hist) . . (+108) . . CompSciSpring2016 (→Homework)
- 12:29, 13 April 2016 (diff | hist) . . (+63) . . CompSciHW9 (current)
- 12:21, 13 April 2016 (diff | hist) . . (+1,421) . . N CompSciHW10 (Created page with "Intro. Scientific Computing, HW10 - Due Friday, April 22. <pre> 1) Write a complete code to simulate the Lennard-Jones gas in a 2D periodic box with box length L = 14 and ...")
- 12:22, 11 April 2016 (diff | hist) . . (0) . . N File:Week13.pdf (current)
- 12:20, 11 April 2016 (diff | hist) . . (+41) . . CompSciSpring2016 (→Notes)
- 11:01, 8 April 2016 (diff | hist) . . (0) . . N File:Final.pdf (current)
- 11:00, 8 April 2016 (diff | hist) . . (+129) . . CompSciSpring2016 (→Projects)
- 12:03, 6 April 2016 (diff | hist) . . (0) . . File:Week12.pdf (David M. Rogers uploaded a new version of "File:Week12.pdf") (current)
- 12:02, 6 April 2016 (diff | hist) . . (0) . . N File:Week12.pdf
- 12:02, 6 April 2016 (diff | hist) . . (+41) . . CompSciSpring2016 (→Notes)
- 12:00, 6 April 2016 (diff | hist) . . (+14) . . m CompSciWeek13 (→Python Integrator) (current)
- 11:59, 6 April 2016 (diff | hist) . . (+2,529) . . CompSciWeek13 (→Numerical Integration + Binary Output Format)
- 11:33, 6 April 2016 (diff | hist) . . (0) . . File:Integrate.pdf (David M. Rogers uploaded a new version of "File:Integrate.pdf") (current)
- 11:29, 6 April 2016 (diff | hist) . . (0) . . File:Basis.pdf (David M. Rogers uploaded a new version of "File:Basis.pdf") (current)
- 13:58, 4 April 2016 (diff | hist) . . (+52) . . m CompSciSpring2016 (→Homework)
- 11:06, 4 April 2016 (diff | hist) . . (+1) . . CompSciHW9
- 11:03, 4 April 2016 (diff | hist) . . (+1,434) . . N CompSciHW9 (Created page with "Introduction to Scientific Computing, HW 9. Due Friday, Apr. 15, 2016. <pre> 1) Write a complete code to simulate the Lennard-Jones gas in a 2D periodic box with box leng...")
- 10:41, 4 April 2016 (diff | hist) . . (+1,167) . . N CompSciHW8 (Created page with "Introduction to Scientific Computing, Homework 8. Due Friday, April 8 2016. <pre> 1) Write code to generate the following empty arrays: a) a vector of 100 floats b) a 20 ...") (current)
- 10:37, 4 April 2016 (diff | hist) . . (+91) . . m CompSciSpring2016 (→Textbooks and Resources)
- 14:32, 31 March 2016 (diff | hist) . . (+5,009) . . N Code:Vectors (Created page with "This interactive code demp plots three vectors using matplotlib. The "zero" vector, x[0], is colored blue because it is recomputed from the other two vectors, x[1] and x[2...") (current)
- 14:29, 31 March 2016 (diff | hist) . . (-5,321) . . CompSciSpring2016 (→Group Work Pages)
- 12:22, 30 March 2016 (diff | hist) . . (+5,368) . . CompSciSpring2016 (→Group Work Pages)
- 20:54, 29 March 2016 (diff | hist) . . (0) . . m CompSciSpring2016 (→Homework)
- 20:46, 29 March 2016 (diff | hist) . . (+55) . . m CompSciSpring2016 (→Homework)
- 11:57, 28 March 2016 (diff | hist) . . (+1,275) . . N CompSciHW7 (Created page with "Introduction To Scientific Computing Homework 7 (Fall, 2016) Due Friday, April 1. <pre> 1) Write a function to add two polynomials that have been specified by vectors of the...") (current)
- 11:47, 28 March 2016 (diff | hist) . . (0) . . N File:Week11.pdf (current)
- 11:46, 28 March 2016 (diff | hist) . . (+41) . . CompSciSpring2016 (→Notes)
- 12:03, 23 March 2016 (diff | hist) . . (+1) . . CompSciSpring2016 (→Notes)
- 12:03, 23 March 2016 (diff | hist) . . (+70) . . N File:Water rdf.txt (Water and ETH center of mass rdf computed following Code:gmxliquid) (current)
- 12:00, 23 March 2016 (diff | hist) . . (+75) . . CompSciSpring2016 (→Notes)
- 12:00, 23 March 2016 (diff | hist) . . (-1,528) . . CompSciSpring2016 (→Group Work Pages)
- 13:50, 21 March 2016 (diff | hist) . . (+464) . . CompSciHW6 (current)
- 13:12, 21 March 2016 (diff | hist) . . (+229) . . CompSciHW6
- 12:14, 21 March 2016 (diff | hist) . . (0) . . N File:Week9-10.pdf (current)
- 12:14, 21 March 2016 (diff | hist) . . (+45) . . CompSciSpring2016 (→Notes)
- 10:48, 21 March 2016 (diff | hist) . . (+53) . . m CompSciSpring2016 (→Homework)
- 10:41, 21 March 2016 (diff | hist) . . (+383) . . CompSciHW6
- 12:34, 7 March 2016 (diff | hist) . . (0) . . N File:Week7-8.pdf (current)
- 12:34, 7 March 2016 (diff | hist) . . (+2) . . m CompSciSpring2016 (→Notes)
- 12:30, 7 March 2016 (diff | hist) . . (+27) . . N Gorrilaz Code (David M. Rogers moved page Gorrilaz Code to Gorillaz Code: misspelling) (current)
- 12:30, 7 March 2016 (diff | hist) . . (0) . . m Gorillaz Code (David M. Rogers moved page Gorrilaz Code to Gorillaz Code: misspelling) (current)
- 12:29, 7 March 2016 (diff | hist) . . (+41) . . CompSciSpring2016 (→Notes)
- 11:35, 5 March 2016 (diff | hist) . . (+80) . . Code:gmxliquid
- 15:47, 4 March 2016 (diff | hist) . . (+56) . . CompSciHW5 (current)
- 15:47, 4 March 2016 (diff | hist) . . (+469) . . CompSciHW5
- 13:19, 29 February 2016 (diff | hist) . . (+147) . . Gorillaz Code
- 13:16, 29 February 2016 (diff | hist) . . (0) . . m CompSciSpring2016 (→Notes)
- 13:15, 29 February 2016 (diff | hist) . . (0) . . N File:Wat3-ccsd.txt (current)
- 13:14, 29 February 2016 (diff | hist) . . (+100) . . CompSciSpring2016 (→Notes)
- 14:49, 24 February 2016 (diff | hist) . . (+1,050) . . Gorillaz Code
- 13:28, 24 February 2016 (diff | hist) . . (0) . . N File:Banana.png (current)
- 13:28, 24 February 2016 (diff | hist) . . (0) . . N File:R.png (current)
- 13:27, 24 February 2016 (diff | hist) . . (0) . . N File:L.png (current)
- 13:27, 24 February 2016 (diff | hist) . . (+81) . . N Gorillaz Code (Created page with "Use the following image files: File:L.png File:R.png File:banana.png")
- 13:26, 24 February 2016 (diff | hist) . . (+21) . . CompSciSpring2016 (→Notes)
- 14:58, 19 February 2016 (diff | hist) . . (+707) . . N CompSciHW6 (Created page with "Homework 6 - Due Friday, March 18 <pre> 1) Create a function that parses the following files: a) mat33 = """ 1.0 2.0 3.0 -2.0 0.0 1.0 1.0 1.1 1.2 """ b) csv = """ # time te...")
- 14:57, 19 February 2016 (diff | hist) . . (+143) . . CompSciHW5
- 14:55, 19 February 2016 (diff | hist) . . (+7) . . CompSciHW5
- 14:55, 19 February 2016 (diff | hist) . . (+712) . . N CompSciHW5 (Created page with "Homework 6 - Due Friday, March 4, 2016 <pre> 1) Create a function that parses the following files: a) mat33 = """ 1.0 2.0 3.0 -2.0 0.0 1.0 1.0 1.1 1.2 """ b) csv = """ # ti...")
- 14:54, 19 February 2016 (diff | hist) . . (+32) . . CompSciHW4 (current)
- 14:53, 19 February 2016 (diff | hist) . . (+3,359) . . N CompSciHW4 (Created page with "<pre> Homework 4: 1. Write down the types for the following standard python functions. Hint: Consult the text, use help() and try out example function calls. a) str.coun...")
- 14:53, 19 February 2016 (diff | hist) . . (-1) . . m CompSciSpring2016 (→Homework)
- 14:53, 19 February 2016 (diff | hist) . . (+109) . . CompSciSpring2016 (→Homework)
- 13:18, 17 February 2016 (diff | hist) . . (+1) . . m CompSciSpring2016 (→Midterm)
- 13:17, 17 February 2016 (diff | hist) . . (+193) . . CompSciSpring2016 (→Midterm)
- 13:17, 17 February 2016 (diff | hist) . . (0) . . N File:Midterm.pdf (current)
- 11:50, 16 February 2016 (diff | hist) . . (-243) . . CompSciSpring2016 (rv - better groups)
- 15:40, 15 February 2016 (diff | hist) . . (+393) . . HowTo:Fourier (current)
- 14:55, 15 February 2016 (diff | hist) . . (+1,528) . . CompSciSpring2016 (→Group Assignments)
- 13:33, 15 February 2016 (diff | hist) . . (+697) . . CompSciSpring2016
- 11:19, 12 February 2016 (diff | hist) . . (+2,298) . . N CompSciHW3 (Created page with "= Homework 3 - Due Friday., Feb. 19 = <pre> 1. Replace the re-used constants in the following code with appropriate names, and list their types: example: P = 1500...") (current)
- 11:14, 12 February 2016 (diff | hist) . . (+56) . . CompSciSpring2016 (→Homework)
- 16:59, 10 February 2016 (diff | hist) . . (0) . . N File:Week5.pdf (current)
- 13:21, 10 February 2016 (diff | hist) . . (0) . . CompSciSpring2016 (→Notes)
- 13:20, 10 February 2016 (diff | hist) . . (+529) . . CompSciSpring2016 (→Notes)
- 13:35, 8 February 2016 (diff | hist) . . (+30) . . CompSciHW2 (current)
- 13:30, 8 February 2016 (diff | hist) . . (0) . . m CompSciHW2
- 12:05, 8 February 2016 (diff | hist) . . (+107) . . CompSciSpring2016 (→Notes)
- 12:55, 1 February 2016 (diff | hist) . . (+45) . . m Code:Oware (current)
- 12:52, 1 February 2016 (diff | hist) . . (0) . . m Code:Oware
- 12:49, 1 February 2016 (diff | hist) . . (+1,083) . . Code:Oware
- 13:31, 29 January 2016 (diff | hist) . . (+92) . . CompSciSpring2016 (→Notes)
- 11:33, 28 January 2016 (diff | hist) . . (+125) . . Code (→C Libraries)
- 14:18, 27 January 2016 (diff | hist) . . (+19) . . CompSciHW2
- 14:18, 27 January 2016 (diff | hist) . . (0) . . m CompSciSpring2016 (→Homework)
- 17:11, 26 January 2016 (diff | hist) . . (+6) . . m CompSciHW2
- 19:15, 25 January 2016 (diff | hist) . . (+2,988) . . N CompSciHW2 (Created page with "Homework 2 -- types, functions, and substitution Use the following code as reference for problem 1: <source lang="python"> from numpy.random import uniform from math import c...")
- 16:05, 25 January 2016 (diff | hist) . . (+10) . . m Code:for patterns (→Solutions) (current)
- 15:56, 25 January 2016 (diff | hist) . . (+3,313) . . N Code:for patterns (Created page with "Here are some example codes that write essentially the same instruction over and over. Let's see how to abstract these patterns out using variables. Try and work the problems...")
- 15:29, 25 January 2016 (diff | hist) . . (+60) . . CompSciSpring2016 (→Notes)
- 13:16, 25 January 2016 (diff | hist) . . (0) . . N File:Week3.pdf (current)
- 11:57, 25 January 2016 (diff | hist) . . (+102) . . CompSciSpring2016 (→Notes & Homework)
- 15:23, 20 January 2016 (diff | hist) . . (+344) . . CompSciSpring2016 (→Notes & Homework)
- 15:20, 20 January 2016 (diff | hist) . . (-3) . . Code:Oware
- 15:20, 20 January 2016 (diff | hist) . . (+1,327) . . N Code:Oware (Created page with "Here is the code we're building in Intro. Scientific Computing, 2016 for playing [https://en.wikipedia.org/wiki/Oware Oware]. There is a simple rule summary and a few example ...")
- 15:12, 20 January 2016 (diff | hist) . . (+29) . . CompSciSpring2016 (→Notes & Homework)
- 13:21, 20 January 2016 (diff | hist) . . (0) . . N File:Week2.pdf (current)
- 13:20, 20 January 2016 (diff | hist) . . (+39) . . CompSciSpring2016 (→Notes & Homework)
- 13:51, 15 January 2016 (diff | hist) . . (-3) . . Predictive Chemistry:Current events
- 13:09, 13 January 2016 (diff | hist) . . (+78) . . CompSciSpring2016 (→Textbooks and Resources)
- 10:18, 13 January 2016 (diff | hist) . . (+1,929) . . N PythonTranslated (Created page with "Abstracting = the process of turning a specific answer (or program) into a more general one. The code below uses '''x''' and '''y''' as abstract place-holders for the actual ...") (current)
- 09:56, 13 January 2016 (diff | hist) . . (-3) . . CompSciHW1 (current)
- 09:55, 13 January 2016 (diff | hist) . . (+132) . . CompSciSpring2016 (→Notes & Homework)
- 18:38, 12 January 2016 (diff | hist) . . (+1,294) . . N CompSciHW1 (Created page with "Homework 1 (due Wednesday, Jan. 20, 2016) Use the 7 forms to write code performing the following: # Create a variable named '''x''' holding the string "Hello World!" # Creat...")
- 16:47, 11 January 2016 (diff | hist) . . (0) . . CompSciSpring2016
- 15:12, 11 January 2016 (diff | hist) . . (+1) . . CompSciSpring2016
- 15:10, 11 January 2016 (diff | hist) . . (+115) . . CompSciSpring2016
- 15:09, 11 January 2016 (diff | hist) . . (0) . . N File:Intro.pdf (current)
- 15:09, 11 January 2016 (diff | hist) . . (+38) . . CompSciSpring2016
- 12:14, 11 January 2016 (diff | hist) . . (+75) . . Courses
- 17:53, 8 January 2016 (diff | hist) . . (+1) . . m CompSciSpring2016 (→= Grading Rationale)
- 17:52, 8 January 2016 (diff | hist) . . (-3) . . CompSciSpring2016
- 17:51, 8 January 2016 (diff | hist) . . (+5,873) . . N CompSciSpring2016 (Created page with "'''<BIG>Introduction to Scientific Computing</BIG>''' Course Info * Course Numbers CHM 4932-004/6938-010, CRN: 22347/22348 * Credit Hours: 3 * Meeting Dates: January 22 - Apr...")
- 16:16, 4 January 2016 (diff | hist) . . (+894) . . Publications
- 11:33, 4 January 2016 (diff | hist) . . (+975) . . Predictive Chemistry:Current events
- 23:36, 8 December 2015 (diff | hist) . . (0) . . N File:Pchem quiz6-12.pdf (current)
- 23:35, 8 December 2015 (diff | hist) . . (+43) . . PChemFall2015 (current)
- 22:37, 7 December 2015 (diff | hist) . . (0) . . N File:Pchem bquiz6-12.pdf (current)
- 18:17, 7 December 2015 (diff | hist) . . (+60) . . PChemFall2015 (→Notes & Homework)
- 13:46, 1 December 2015 (diff | hist) . . (+9) . . m PChemFall2015 (→Notes & Homework)
- 13:18, 23 November 2015 (diff | hist) . . (+255) . . PChemFall2015
- 13:21, 30 October 2015 (diff | hist) . . (+13) . . PChemFall2015
- 13:20, 30 October 2015 (diff | hist) . . (+297) . . PChemFall2015
- 14:07, 28 October 2015 (diff | hist) . . (+200) . . PChemFall2015 (→Resources)
- 12:58, 22 October 2015 (diff | hist) . . (+245) . . CompSciFall2014 (current)
- 17:45, 15 October 2015 (diff | hist) . . (+641) . . PChemFall2015 (→Notes & Homework)
- 17:23, 15 October 2015 (diff | hist) . . (0) . . File:Final hw.pdf (David M. Rogers uploaded a new version of "File:Final hw.pdf") (current)
- 15:02, 15 October 2015 (diff | hist) . . (0) . . N File:Final hw.pdf
- 14:58, 15 October 2015 (diff | hist) . . (+276) . . PChemFall2015
- 11:00, 7 October 2015 (diff | hist) . . (0) . . N File:Pchem bquiz1-5.pdf (current)
- 10:59, 7 October 2015 (diff | hist) . . (+83) . . PChemFall2015
- 23:31, 30 September 2015 (diff | hist) . . (0) . . N File:Pchem quiz1-5.pdf (current)
- 23:30, 30 September 2015 (diff | hist) . . (+65) . . PChemFall2015
- 12:19, 24 September 2015 (diff | hist) . . (+61) . . PChemFall2015 (→Notes & Homework)
- 12:10, 24 September 2015 (diff | hist) . . (+67) . . m Publications
- 11:42, 23 September 2015 (diff | hist) . . (-1) . . m Publications
- 11:42, 23 September 2015 (diff | hist) . . (+1,106) . . Publications
- 19:12, 22 September 2015 (diff | hist) . . (0) . . File:Pchem notes.pdf (David M. Rogers uploaded a new version of "File:Pchem notes.pdf") (current)
- 23:19, 17 September 2015 (diff | hist) . . (0) . . N File:Pchem notes.pdf
- 23:18, 17 September 2015 (diff | hist) . . (+6) . . m PChemFall2015 (→Notes & Homework)
- 23:17, 17 September 2015 (diff | hist) . . (-2) . . m PChemFall2015 (→Notes & Homework)
- 23:17, 17 September 2015 (diff | hist) . . (+245) . . PChemFall2015 (→Notes & Homework)
- 23:10, 17 September 2015 (diff | hist) . . (+46) . . Courses (→Courses)
- 08:47, 11 September 2015 (diff | hist) . . (0) . . m PChemFall2015 (→Resources)
- 08:46, 11 September 2015 (diff | hist) . . (0) . . N File:Two state model.xlsx (current)
- 08:45, 11 September 2015 (diff | hist) . . (0) . . N File:LJ.xlsx (current)
- 08:45, 11 September 2015 (diff | hist) . . (+815) . . PChemFall2015 (→Notes & Homework)
- 15:18, 3 September 2015 (diff | hist) . . (+543) . . PChemFall2015
- 21:46, 27 August 2015 (diff | hist) . . (0) . . File:Mitosis.png (David M. Rogers uploaded a new version of "File:Mitosis.png") (current)
- 17:23, 27 August 2015 (diff | hist) . . (+61) . . PChemFall2015 (→Notes & Homework)
- 17:18, 27 August 2015 (diff | hist) . . (+1) . . m PChemFall2015 (→Notes & Homework)
- 17:18, 27 August 2015 (diff | hist) . . (0) . . N File:CO2.xlsx (current)
- 17:15, 27 August 2015 (diff | hist) . . (+79) . . PChemFall2015 (→Notes & Homework)
- 15:14, 27 August 2015 (diff | hist) . . (+141) . . m PChemFall2015 (→Notes & Homework)
- 14:29, 27 August 2015 (diff | hist) . . (+91) . . PChemFall2015 (→Notes & Homework)
- 20:02, 25 August 2015 (diff | hist) . . (+1) . . PChemFall2015 (→Notes & Homework)
- 19:59, 25 August 2015 (diff | hist) . . (0) . . N File:Intro slides.pdf (current)
- 19:59, 25 August 2015 (diff | hist) . . (+45) . . PChemFall2015 (→Notes & Homework)
- 15:07, 19 August 2015 (diff | hist) . . (+1,442) . . N PChemFall2015 (Created page with "'''<BIG>Physical Chemistry I</BIG>''' Course Info * Course Numbers CHM 4410 * Credit Hours: 4 * Meeting Dates: Aug. 25 - Dec. 4, 2015 ** No Class Nov. 26 & 27 * Meeting Times...")
- 20:02, 24 July 2015 (diff | hist) . . (+359) . . m HowTo:Unlock (current)
- 18:45, 24 July 2015 (diff | hist) . . (+324) . . m HowTo:Unlock
- 17:00, 24 July 2015 (diff | hist) . . (+34) . . m HowTo:Unlock
- 16:46, 24 July 2015 (diff | hist) . . (+7,399) . . N HowTo:Unlock (Created page with "Smartphones are a great convenience, but unfortunately can be a major stress on your budget and limit on your digital freedom. If you've been reading any news lately, you kno...")
- 13:20, 24 July 2015 (diff | hist) . . (+51) . . HowTo (current)
- 15:05, 13 July 2015 (diff | hist) . . (+959) . . Publications
- 14:51, 13 July 2015 (diff | hist) . . (+346) . . Predictive Chemistry:Current events
- 14:47, 13 July 2015 (diff | hist) . . (+535) . . m Predictive Chemistry:Current events
- 10:20, 18 June 2015 (diff | hist) . . (+510) . . Best Practices (→Gromacs) (current)
- 10:07, 18 June 2015 (diff | hist) . . (+4) . . m Best Practices (→Compilation Specifics)
- 10:06, 18 June 2015 (diff | hist) . . (+3,044) . . N Best Practices (Created page with "This page collects best use practices and expected timings for codes we use regularly. If you have additional timing info., please share the wealth! == Gromacs == On CIRCE, US…")
- 09:38, 18 June 2015 (diff | hist) . . (+160) . . Code
- 16:49, 7 March 2015 (diff | hist) . . (+36) . . Publications
- 16:48, 7 March 2015 (diff | hist) . . (-1) . . Publications
- 16:48, 7 March 2015 (diff | hist) . . (+546) . . Publications
- 12:29, 7 March 2015 (diff | hist) . . (-10) . . m Publications
- 12:28, 7 March 2015 (diff | hist) . . (+572) . . Publications
- 12:08, 7 March 2015 (diff | hist) . . (+223) . . Predictive Chemistry:Current events
- 14:16, 23 February 2015 (diff | hist) . . (+4,581) . . N Code:realpole (Created page with "This page contains code related to the JCP article, "Real-space quadrature: A convenient, efficient representation for multipole expansions" To use the code, you will also need …") (current)
- 11:30, 23 February 2015 (diff | hist) . . (+118) . . Code
- 19:25, 3 December 2014 (diff | hist) . . (+193) . . CompSciWeek14-15 (→The Monte Carlo Method) (current)
- 19:20, 3 December 2014 (diff | hist) . . (-18) . . CompSciWeek14-15 (→The Monte Carlo Method)
- 19:20, 3 December 2014 (diff | hist) . . (+7) . . m CompSciWeek14-15 (→The Monte Carlo Method)
- 19:19, 3 December 2014 (diff | hist) . . (+3,723) . . CompSciWeek14-15 (→The Monte Carlo Method)
- 18:37, 3 December 2014 (diff | hist) . . (+3,565) . . CompSciWeek14-15 (→Example 3)
- 18:15, 3 December 2014 (diff | hist) . . (+1,001) . . CompSciWeek14-15 (→Example 1)
- 13:25, 3 December 2014 (diff | hist) . . (+3,459) . . CompSciWeek14-15
- 16:43, 26 November 2014 (diff | hist) . . (+39) . . Courses (→Tutorials)
- 16:42, 26 November 2014 (diff | hist) . . (+88) . . CompSciWeek14-15
- 16:41, 26 November 2014 (diff | hist) . . (+3,524) . . HowTo:Fourier
- 15:58, 26 November 2014 (diff | hist) . . (-5) . . m HowTo:Fourier (→Discrete Version)
- 15:57, 26 November 2014 (diff | hist) . . (+4,166) . . HowTo:Fourier
- 13:32, 26 November 2014 (diff | hist) . . (+1,388) . . N HowTo:Fourier (Created page with "The Fourier transform is such a useful fundamental tool, it deserves its own howto (as opposed to a simple Code). The Fourier transform is a transformation of a function int…")
- 12:40, 26 November 2014 (diff | hist) . . (+48) . . HowTo
- 13:20, 24 November 2014 (diff | hist) . . (+6) . . m CompSciWeek14-15
- 13:18, 24 November 2014 (diff | hist) . . (0) . . N File:Build.svg (current)
- 13:17, 24 November 2014 (diff | hist) . . (+20) . . CompSciWeek14-15
- 15:47, 22 November 2014 (diff | hist) . . (+130) . . Code:gmxliquid (→analyze dynamic data)
- 13:48, 22 November 2014 (diff | hist) . . (+2) . . m Code:gmxliquid
- 11:33, 21 November 2014 (diff | hist) . . (+1) . . Code:gmxliquid (→analyze dynamic data)
- 11:30, 21 November 2014 (diff | hist) . . (0) . . N File:Liq files.tgz (current)
- 11:29, 21 November 2014 (diff | hist) . . (+89) . . Code:gmxliquid
- 17:44, 19 November 2014 (diff | hist) . . (0) . . N File:Integrate.pdf
- 17:44, 19 November 2014 (diff | hist) . . (+41) . . CompSciWeek13 (→Numerical Integration + Binary Output Format)
- 17:42, 19 November 2014 (diff | hist) . . (0) . . N File:Basis.pdf
- 17:42, 19 November 2014 (diff | hist) . . (+37) . . CompSciWeek13 (→Basis Functions)
- 15:03, 18 November 2014 (diff | hist) . . (+6,612) . . N Code:gmxliquid (Created page with "In this tutorial, I'm assuming you already have the gromacs commands loaded. On circe at USF, this is done with: module load apps/gromacs/4.5.5 = Create an input system = Fi…")
- 14:33, 18 November 2014 (diff | hist) . . (+51) . . Code (→Tutorials)
- 21:20, 17 November 2014 (diff | hist) . . (+184) . . CompSciWeek14-15 (→Installation Woes)
- 21:18, 17 November 2014 (diff | hist) . . (+547) . . CompSciWeek13 (→Working with binary)
- 16:18, 17 November 2014 (diff | hist) . . (+1) . . CompSciWeek13 (→GNU ODE Integrator)
- 16:17, 17 November 2014 (diff | hist) . . (+4) . . CompSciWeek13 (→Plotting with Gnuplot)
- 16:16, 17 November 2014 (diff | hist) . . (+3) . . CompSciWeek13 (→GNU ODE Integrator)
- 16:15, 17 November 2014 (diff | hist) . . (+1) . . CompSciWeek13 (→GNU ODE Integrator)
- 16:15, 17 November 2014 (diff | hist) . . (+774) . . CompSciWeek13 (→Numerical Integration + Binary Output Format)
- 16:11, 17 November 2014 (diff | hist) . . (+75) . . CompSciWeek13 (→Numerical Integration + Binary Output Format)
- 13:29, 17 November 2014 (diff | hist) . . (+215) . . CompSciWeek13 (→Numerical Integration)
- 13:27, 17 November 2014 (diff | hist) . . (+700) . . CompSciWeek13 (→Numerical Integration)
- 10:43, 17 November 2014 (diff | hist) . . (+49) . . CompSciWeek13 (→Numerical Integration)
- 10:03, 17 November 2014 (diff | hist) . . (+985) . . N CompSciWeek14-15 (Created page with "= Installation Woes = * Python packages (ex: sympy) * GNU Autotools + make-based process (ex: FFTW) * Cmake: a developer-friendly (not user-friendly?) alternative (ex: cgal) * No…")
- 10:02, 17 November 2014 (diff | hist) . . (+451) . . N CompSciWeek13 (Created page with "= Numerical Integration = * The tinkerbell attractor ** Implementations in OpenOffice Spreadsheet, GNU ODE, and Python ** Perturbed initial conditions, Lyapunov exponents, and la…")
- 13:21, 13 November 2014 (diff | hist) . . (+1) . . CompSciWeek12 (→Reading Assignment) (current)
- 16:27, 12 November 2014 (diff | hist) . . (0) . . N File:Coord.pdf (current)
- 16:27, 12 November 2014 (diff | hist) . . (+80) . . CompSciWeek12 (→Reading Assignment)
- 16:32, 7 November 2014 (diff | hist) . . (+80) . . CompSciWeek12 (→Reading Assignment)
- 18:33, 6 November 2014 (diff | hist) . . (-11) . . m Predictive Chemistry:Current events
- 18:32, 6 November 2014 (diff | hist) . . (+496) . . Predictive Chemistry:Current events
- 17:45, 6 November 2014 (diff | hist) . . (+155) . . CompSciWeek10 (current)
- 19:47, 5 November 2014 (diff | hist) . . (+835) . . N CompSciWeek12 (Created page with "= Reading Assignment = * [http://web.mit.edu/18.06/www/Spring97/exam-97.html Problem Series] from MIT Linear Algebra Course = Class 1 & 2 = * Numerical Optimization * Numerical …")
- 19:13, 5 November 2014 (diff | hist) . . (0) . . CompSciWeek10 (→Homework - Due Wed., Nov 5)
- 19:12, 5 November 2014 (diff | hist) . . (+498) . . CompSciWeek11 (current)
- 16:07, 4 November 2014 (diff | hist) . . (+830) . . Publications
- 15:28, 3 November 2014 (diff | hist) . . (+249) . . CompSciWeek11 (→Class 1)
- 15:25, 3 November 2014 (diff | hist) . . (+1,839) . . CompSciWeek11 (→Class 1)
- 13:24, 3 November 2014 (diff | hist) . . (0) . . CompSciWeek11 (→Class 1)
- 13:24, 3 November 2014 (diff | hist) . . (+977) . . N CompSciWeek11 (Created page with "= Class 1 = * Tensor Manipulations - distance distributions in random point set exercise ** [http://docs.scipy.org/doc/scipy-0.14.0/reference/generated/scipy.spatial.distance.pdi…")
- 15:24, 27 October 2014 (diff | hist) . . (-1) . . m CompSciWeek10 (→Homework - Due Wed., Nov 5)
- 15:22, 27 October 2014 (diff | hist) . . (+5,535) . . N CompSciWeek10 (Created page with "= Class 1 = A motivating problem for vector mathematics. The following problem appears in structure building for molecular modeling. The 20 common amino acids are joined into p…")
- 17:49, 22 October 2014 (diff | hist) . . (+172) . . Stdlib (→The Easy Way) (current)
- 17:45, 22 October 2014 (diff | hist) . . (+830) . . Stdlib
- 17:37, 22 October 2014 (diff | hist) . . (+57) . . m Stdlib
- 12:14, 22 October 2014 (diff | hist) . . (+71) . . CompSciWeek9 (→vis.py - visualize the DWT by running on image data) (current)
- 12:08, 22 October 2014 (diff | hist) . . (+30) . . CompSciWeek9 (→Class 2, python's ctypes)
- 11:54, 22 October 2014 (diff | hist) . . (+82) . . N File:Mitosis.png (Image screen-grabbed from mitosis video at http://brookeborel.com/2011/06/02/363/.)
- 11:53, 22 October 2014 (diff | hist) . . (+665) . . CompSciWeek9 (→Class 2, python's ctypes)
- 11:30, 22 October 2014 (diff | hist) . . (+3,372) . . N CompSciWeek9 (Created page with "= Class 1, an in-depth look at class structure = * magic methods, __init__, etc. * class inheritance - extending something that does almost what you want ** ex. inheriting from …")
- 09:40, 22 October 2014 (diff | hist) . . (+83) . . N File:Libnwchem-6.5.patch.gz (Patch to nwchem 6.5 for compilation as a shared library and use with python ctypes.)
- 09:39, 22 October 2014 (diff | hist) . . (-20) . . Code:libnwchem (current)
- 09:38, 22 October 2014 (diff | hist) . . (+320) . . Code:libnwchem (→Compilation)
- 01:26, 22 October 2014 (diff | hist) . . (+128) . . Code:libnwchem
- 01:02, 22 October 2014 (diff | hist) . . (+107) . . m Code:libnwchem (→Testing)
- 17:52, 21 October 2014 (diff | hist) . . (+11) . . m Code:libnwchem (→Compilation)
- 17:49, 21 October 2014 (diff | hist) . . (+427) . . Code:libnwchem (→Obtaining)
- 15:42, 21 October 2014 (diff | hist) . . (+3) . . Silmaril
- 15:41, 21 October 2014 (diff | hist) . . (+247) . . m Silmaril
- 15:22, 21 October 2014 (diff | hist) . . (+40) . . Code:libnwchem (→Help)
- 14:47, 21 October 2014 (diff | hist) . . (+304) . . m Code:libnwchem
- 14:43, 21 October 2014 (diff | hist) . . (+12) . . m Code:libnwchem (→Obtaining)
- 14:42, 21 October 2014 (diff | hist) . . (+4,473) . . N Code:libnwchem (Created page with "Libnwchem is a patch to the [http://www.nwchem-sw.org/index.php/Download#Patches_for_the_26243_revision_of_NWChem_6.5 6.5 Revision of NWChem] that adds three useful features. # …")
- 14:00, 21 October 2014 (diff | hist) . . (+159) . . Code (→Python Libraries)
- 14:00, 15 October 2014 (diff | hist) . . (-23) . . CompSciWeek8 (current)
- 16:57, 13 October 2014 (diff | hist) . . (+25) . . m CompSciWeek8 (→Homework 5, Due Wed., Oct. 22)
- 16:57, 13 October 2014 (diff | hist) . . (+1,956) . . CompSciWeek8
- 16:50, 13 October 2014 (diff | hist) . . (+365) . . m CompSciWeek4 (→Class 1: Formal Proofs) (current)
- 14:38, 13 October 2014 (diff | hist) . . (+169) . . Code:SLURM (current)
- 14:34, 13 October 2014 (diff | hist) . . (+2,900) . . N Code:SLURM (Created page with "== User environment == Zeroth, set up your own system (for linux), by adding a host def for circe to your '''$HOME/.ssh/config''' file. Then you don't have to keep typing in cir…")
- 14:15, 13 October 2014 (diff | hist) . . (+35) . . Code (→Templates)
- 12:18, 13 October 2014 (diff | hist) . . (+2) . . m CompSciWeek7 (→Binary Tree Code) (current)
- 12:17, 13 October 2014 (diff | hist) . . (+38) . . m CompSciWeek7
- 12:12, 13 October 2014 (diff | hist) . . (+1,210) . . CompSciWeek7
- 11:56, 13 October 2014 (diff | hist) . . (+1,968) . . CompSciWeek8
- 16:54, 6 October 2014 (diff | hist) . . (+1) . . m CompSciWeek7 (→Class 1: The Git Revision Control System)
- 16:54, 6 October 2014 (diff | hist) . . (+20) . . CompSciWeek7 (→Class 1: The Git Revision Control System)
- 16:53, 6 October 2014 (diff | hist) . . (+1,338) . . CompSciWeek7 (→Class 1: The Git Revision Control System)
- 16:43, 6 October 2014 (diff | hist) . . (+173) . . CompSciWeek7 (→Class 1: The Git Revision Control System)
- 12:40, 6 October 2014 (diff | hist) . . (+47) . . m Code:SGE (current)
- 11:02, 6 October 2014 (diff | hist) . . (0) . . m CompSciWeek7 (→Reading (shared with Week 6))
- 14:51, 2 October 2014 (diff | hist) . . (+13) . . m CompSciFall2014 (→Textbooks)
- 14:51, 2 October 2014 (diff | hist) . . (+410) . . CompSciFall2014
- 15:02, 1 October 2014 (diff | hist) . . (+229) . . CompSciWeek6 (→Codes) (current)
- 15:01, 1 October 2014 (diff | hist) . . (+1) . . CompSciWeek6 (→Codes)
- 15:00, 1 October 2014 (diff | hist) . . (+1,336) . . CompSciWeek6
- 14:21, 1 October 2014 (diff | hist) . . (+43) . . m Silmaril
- 11:44, 30 September 2014 (diff | hist) . . (-3) . . m CompSciWeek6 (→Homework 4 (Due Fri., Oct. 10))
- 11:44, 30 September 2014 (diff | hist) . . (+2,467) . . CompSciWeek6
- 22:02, 29 September 2014 (diff | hist) . . (+11) . . m Publications
- 11:17, 29 September 2014 (diff | hist) . . (-46) . . m CompSciWeek6 (→Class 1: Effective Design)
- 11:16, 29 September 2014 (diff | hist) . . (+10) . . CompSciFall2014
- 11:15, 29 September 2014 (diff | hist) . . (+56) . . m CompSciFall2014 (→Notes & Homework)
- 11:13, 29 September 2014 (diff | hist) . . (+111) . . m CompSciFall2014 (→Notes & Homework)
- 11:11, 29 September 2014 (diff | hist) . . (+148) . . CompSciFall2014 (→Notes & Homework)
- 11:07, 29 September 2014 (diff | hist) . . (+189) . . N CompSciWeek8 (Created page with "= Parallel programming examples = * Code walk-through parallel array analysis * walk-through mpi4py = Interfacing Python and C = * walk-through MPI interfaces from other languag…")
- 11:07, 29 September 2014 (diff | hist) . . (+444) . . CompSciWeek7
- 11:06, 29 September 2014 (diff | hist) . . (-11) . . CompSciWeek6
- 11:04, 29 September 2014 (diff | hist) . . (-188) . . CompSciWeek5 (current)
- 11:52, 26 September 2014 (diff | hist) . . (+50) . . m Stdlib
- 11:21, 26 September 2014 (diff | hist) . . (0) . . m Stdlib
- 10:02, 26 September 2014 (diff | hist) . . (+307) . . Stdlib
- 09:55, 26 September 2014 (diff | hist) . . (+1,557) . . N Stdlib (Created page with "<source lang="haskell"> /* Stdenv v 0.4 * * To be run once, create some useful standard objects, and save * as a commit structure (for later loading into stdenv-s). * * …")
- 09:55, 26 September 2014 (diff | hist) . . (+1,217) . . N Silmaril (Created page with "The Silmaril programming language is built from the ground up for bleeding edge HPC. It has the following, fully automatic, killer features: * Git-like source code versioning * C…")
- 14:17, 24 September 2014 (diff | hist) . . (+110) . . CompSciWeek1 (→Homework I) (current)
- 14:15, 24 September 2014 (diff | hist) . . (+1) . . CompSciWeek1 (→Homework I)
- 14:15, 24 September 2014 (diff | hist) . . (+1,298) . . CompSciWeek1 (→Homework I)
- 14:11, 24 September 2014 (diff | hist) . . (+1,547) . . CompSciWeek5
- 12:10, 22 September 2014 (diff | hist) . . (+189) . . N CompSciWeek7 (Created page with "= Parallel programming examples = * Code walk-through parallel array analysis * walk-through mpi4py = Interfacing Python and C = * walk-through MPI interfaces from other languag…")
- 12:07, 22 September 2014 (diff | hist) . . (+46) . . CompSciWeek5 (→Class 1: Effective Design)
- 12:06, 22 September 2014 (diff | hist) . . (0) . . CompSciWeek4 (→Homework 3 - due Monday, Sept. 22)
- 12:05, 22 September 2014 (diff | hist) . . (-13) . . Courses (→Courses)
- 17:45, 19 September 2014 (diff | hist) . . (+63) . . Code:networkx (current)
- 15:34, 18 September 2014 (diff | hist) . . (+238) . . CompSciWeek4 (→Homework 3 - due Monday, Sept. 22)
- 15:05, 18 September 2014 (diff | hist) . . (+45) . . Code (→Python Libraries)
- 15:02, 18 September 2014 (diff | hist) . . (+62) . . Code:networkx
- 15:01, 18 September 2014 (diff | hist) . . (+1,716) . . N Code:networkx (Created page with "The [https://networkx.github.io/ networkx] library is a great tool for quick graph operations in python put together by the wonderful folks at Los Alamos National Labs. It uses …")
- 14:29, 18 September 2014 (diff | hist) . . (-4) . . CompSciWeek4
- 14:25, 18 September 2014 (diff | hist) . . (+41) . . CompSciWeek4 (→Homework 3 - due Monday, Sept. 22)
- 14:23, 18 September 2014 (diff | hist) . . (+502) . . CompSciWeek4 (→Homework 3 - due Monday, Sept. 22)
- 14:11, 18 September 2014 (diff | hist) . . (+20) . . CompSciWeek5
- 13:34, 18 September 2014 (diff | hist) . . (+609) . . N CompSciWeek6 (Created page with "Reading: * Beginning Python - skim. chapters 8-14 (use as reference material) ** see expecially urlopen on p. 300, forks and threads on p. 304 * Beginning Python - Chapter 15 (We…")
- 13:23, 18 September 2014 (diff | hist) . . (+488) . . N CompSciWeek5 (Created page with "Reading: * Beginning Python, Chapters 7-8 * [http://www.aosabook.org/en/posa/working-with-big-data-in-bioinformatics.html Bioinformatics Code Design] = Class 1: Effective Design…")
- 13:22, 18 September 2014 (diff | hist) . . (+76) . . CompSciFall2014 (→Notes & Homework)
- 13:19, 18 September 2014 (diff | hist) . . (+127) . . CompSciFall2014 (→Textbooks)
- 11:14, 18 September 2014 (diff | hist) . . (+1,638) . . CompSciWeek4
- 10:56, 18 September 2014 (diff | hist) . . (+964) . . CompSciWeek2 (current)
- 11:47, 15 September 2014 (diff | hist) . . (+45) . . CompSciWeek4 (→Class 1: Formal Proofs)
- 09:09, 15 September 2014 (diff | hist) . . (+313) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15) (current)
- 09:05, 15 September 2014 (diff | hist) . . (+634) . . N Code:text2pdf (Created page with "Here's a small shell script that uses the '''text2pdf''' utility (along with standard tr, sed, and fold utils) to create pdf documents from text file inputs. Note the ^==*, whic…") (current)
- 09:01, 15 September 2014 (diff | hist) . . (+51) . . Code (→Templates)
- 13:50, 12 September 2014 (diff | hist) . . (+94) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 13:49, 12 September 2014 (diff | hist) . . (+193) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 18:35, 10 September 2014 (diff | hist) . . (+51) . . m CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 18:32, 10 September 2014 (diff | hist) . . (+193) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 06:28, 10 September 2014 (diff | hist) . . (+619) . . CompSciWeek4 (→Homework 3 - due Monday, Sept. 22)
- 22:18, 9 September 2014 (diff | hist) . . (0) . . m CompSciFall2014
- 12:29, 8 September 2014 (diff | hist) . . (+471) . . CompSciWeek3
- 17:27, 5 September 2014 (diff | hist) . . (+97) . . CompSciWeek1 (→Homework I)
- 17:25, 5 September 2014 (diff | hist) . . (+377) . . CompSciWeek1 (→Homework I)
- 10:34, 3 September 2014 (diff | hist) . . (+30) . . CompSciWeek3 (→Reading Assignment)
- 10:22, 3 September 2014 (diff | hist) . . (0) . . m CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 10:21, 3 September 2014 (diff | hist) . . (0) . . N File:Multiwfn.txt (current)
- 10:20, 3 September 2014 (diff | hist) . . (+6) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 10:19, 3 September 2014 (diff | hist) . . (+187) . . CompSciWeek3 (→Homework 2 - due Monday, Sept. 15)
- 18:00, 2 September 2014 (diff | hist) . . (+61) . . m CompSciFall2014
- 12:11, 1 September 2014 (diff | hist) . . (+758) . . N CompSciWeek4 (Created page with "= Reading Assignment = * Algorithms, Chapter 2-3 = Class 1: Formal Proofs = * Complexity Notation * Rules - state assumptions, use logical operations on assumptions * Modus Pone…")
- 12:10, 1 September 2014 (diff | hist) . . (-7) . . CompSciWeek3 (→Class 2: Python vs. shell)
- 12:10, 1 September 2014 (diff | hist) . . (+1,097) . . N CompSciWeek3 (Created page with "== Reading Assignment == * Algorithms, Chapters 1-2 ** focus on tree data structures (formal complexity next week) ** ignore python 'Class' for now = Class 1: Intermediate shell…")
- 12:00, 1 September 2014 (diff | hist) . . (-59) . . CompSciWeek2 (→Reading Assignment)
- 11:56, 1 September 2014 (diff | hist) . . (+57) . . CompSciFall2014 (→Notes & Homework)
- 11:56, 1 September 2014 (diff | hist) . . (+31) . . CompSciWeek2 (→Reading Assignment)
- 11:54, 1 September 2014 (diff | hist) . . (-33) . . m CompSciWeek2 (→Algorithms, Continued)
- 11:49, 1 September 2014 (diff | hist) . . (+311) . . CompSciWeek2
- 11:45, 1 September 2014 (diff | hist) . . (-16) . . CompSciWeek2
- 11:45, 1 September 2014 (diff | hist) . . (+374) . . N CompSciWeek2 (Created page with "(Wed. only) Algorithms, Continued ===================== * Beginning Python, Chapter 5 * Algorithms, Chapters 1-3 ** ignore python 'Class' for now * Complexity notation, O(n), et…")
- 16:09, 25 August 2014 (diff | hist) . . (+132) . . CompSciWeek1
- 12:01, 25 August 2014 (diff | hist) . . (+61) . . CompSciWeek1 (→Homework I)
- 12:00, 25 August 2014 (diff | hist) . . (+229) . . CompSciFall2014
- 10:50, 21 August 2014 (diff | hist) . . (-2) . . CompSciWeek1 (→Homework I)
- 10:49, 21 August 2014 (diff | hist) . . (+2,172) . . N CompSciWeek1 (Created page with "== Class 1 == # Pretest # Basic Shell Usage #* pwd, ls, directory structure # Access to Resources #* Logging into the lab computers #** Explanation of dual boot, OS evolution #…")
- 10:26, 21 August 2014 (diff | hist) . . (+46) . . CompSciFall2014
- 10:24, 21 August 2014 (diff | hist) . . (+273) . . Predictive Chemistry:Current events
- 11:15, 14 July 2014 (diff | hist) . . (+249) . . Predictive Chemistry:Current events
- 11:12, 14 July 2014 (diff | hist) . . (+199) . . Publications
- 15:36, 19 June 2014 (diff | hist) . . (+72) . . Courses (→Courses)
- 15:35, 19 June 2014 (diff | hist) . . (+607) . . Predictive Chemistry:Current events
- 15:26, 19 June 2014 (diff | hist) . . (+653) . . Publications
- 15:55, 4 June 2014 (diff | hist) . . (+9) . . m HowTo:PGP (→Server Code) (current)
- 15:55, 4 June 2014 (diff | hist) . . (+10,878) . . HowTo:PGP
- 15:25, 4 June 2014 (diff | hist) . . (-3,205) . . HowTo:PGP (→Usage)
- 15:23, 4 June 2014 (diff | hist) . . (+2,949) . . HowTo:PGP (→Usage)
- 18:03, 3 June 2014 (diff | hist) . . (+260) . . CompSciFall2014
- 14:08, 11 April 2014 (diff | hist) . . (+633) . . N Vimrc (Created page with "Defines macros for tex-ifying a text reference. '''.vim/ftplugin/bib.vim''' <source lang="vim"> noremap <silent> <Leader>a iauthor = {<ESC>ww noremap <silent> <Leader>t ititle =…") (current)
- 14:05, 11 April 2014 (diff | hist) . . (+111) . . Code
- 14:02, 11 April 2014 (diff | hist) . . (-1) . . Code (→Templates)
- 13:23, 11 April 2014 (diff | hist) . . (-1) . . GradQuantumSpring2014 (→Phase III) (current)
- 15:28, 1 April 2014 (diff | hist) . . (-27) . . DFTpy (current)
- 15:27, 1 April 2014 (diff | hist) . . (+2,233) . . N DFTpy (Created page with "This problem set gives a (broken) solver for the 1D Hohnberg-Kohn equations using the Thomas-Fermi approximation. The numerical methods are all there - fix the science and turn …")
- 15:25, 1 April 2014 (diff | hist) . . (+43) . . GradQuantumSpring2014 (→Grading & Due Dates)
- 18:41, 28 March 2014 (diff | hist) . . (+106) . . CompSciFall2014 (→Textbooks)
- 17:21, 28 March 2014 (diff | hist) . . (+83) . . CompSciFall2014
- 17:14, 28 March 2014 (diff | hist) . . (+1,919) . . CompSciFall2014
- 17:06, 28 March 2014 (diff | hist) . . (+815) . . N CompSciFall2014 (Created page with "== Textbooks == * [http://link.springer.com.ezproxy.lib.usf.edu/book/10.1007%2F978-1-4302-0072-7 Beginning Python, Lie, 2005] (eBook avail. from USF Library) * [http://link.spri…")
- 10:52, 25 March 2014 (diff | hist) . . (+296) . . GradQuantumSpring2014 (→Phase III)
- 13:31, 11 February 2014 (diff | hist) . . (0) . . GradQuantumSpring2014 (→Phase II)
- 13:30, 11 February 2014 (diff | hist) . . (+434) . . GradQuantumSpring2014 (→Phase II)
- 13:17, 7 February 2014 (diff | hist) . . (+797) . . Code
- 17:52, 15 January 2014 (diff | hist) . . (+2) . . Publications
- 11:28, 14 January 2014 (diff | hist) . . (+65) . . Courses (→Courses)
- 12:50, 7 January 2014 (diff | hist) . . (+139) . . GradQuantumSpring2014 (→Course Info)
- 19:43, 6 January 2014 (diff | hist) . . (+133) . . GradQuantumSpring2014 (→Phase IV)
- 19:41, 6 January 2014 (diff | hist) . . (+722) . . GradQuantumSpring2014 (→Planned Topics)
- 16:05, 6 January 2014 (diff | hist) . . (+766) . . GradQuantumSpring2014
- 18:17, 2 January 2014 (diff | hist) . . (-1) . . m GradQuantumSpring2014
- 18:17, 2 January 2014 (diff | hist) . . (+1,548) . . GradQuantumSpring2014
- 17:48, 2 January 2014 (diff | hist) . . (+68) . . GradQuantumSpring2014 (→Planned Topics)
- 17:45, 2 January 2014 (diff | hist) . . (+477) . . GradQuantumSpring2014
- 17:17, 2 January 2014 (diff | hist) . . (+377) . . Code
- 19:14, 20 December 2013 (diff | hist) . . (+205) . . m HowTo:PGP (→Usage)
- 18:56, 20 December 2013 (diff | hist) . . (+509) . . HowTo:PGP
- 17:56, 20 December 2013 (diff | hist) . . (+10) . . m HowTo:PGP (→Create a Keyring)
- 17:49, 20 December 2013 (diff | hist) . . (+13,396) . . N HowTo:PGP (Created page with "Online services are the foundation of distributed computing, but security is often overlooked at the beginnings of these projects. Here, I'll explain a really simple way to lock…")
- 16:11, 20 December 2013 (diff | hist) . . (+85) . . HowTo
- 23:52, 25 November 2013 (diff | hist) . . (+1,354) . . Code:SGE
- 15:51, 25 November 2013 (diff | hist) . . (+1) . . NWChem (→Orbital Analysis)
- 15:48, 25 November 2013 (diff | hist) . . (+5) . . m NWChem (→Orbital Analysis)
- 15:47, 25 November 2013 (diff | hist) . . (+2,112) . . NWChem
- 10:58, 23 November 2013 (diff | hist) . . (+183) . . GradQuantumFall2013 (→Course Outline) (current)
- 17:50, 19 November 2013 (diff | hist) . . (+38) . . GradQuantumFall2013 (→List of Group Study Topics)
- 17:48, 19 November 2013 (diff | hist) . . (+38) . . GradQuantumFall2013 (→List of Group Study Topics)
- 14:04, 19 November 2013 (diff | hist) . . (+37) . . GradQuantumFall2013 (→Course Outline)
- 01:07, 15 November 2013 (diff | hist) . . (-65) . . Courses (Undo revision 105 by David M. Rogers (Talk))
- 01:06, 15 November 2013 (diff | hist) . . (+197) . . N GradQuantumSpring2014 (Created page with " Advanced Reference Material: [http://usf.eblib.com.ezproxy.lib.usf.edu/patron/FullRecord.aspx?p=1214609 D.R. Yarkony, ed., Modern Electronic Structure Theory, (World Scientific,…")
- 00:54, 15 November 2013 (diff | hist) . . (+65) . . Courses (→Courses)
- 11:20, 13 November 2013 (diff | hist) . . (+884) . . GradQuantumFall2013 (→Course Outline)
- 11:01, 13 November 2013 (diff | hist) . . (0) . . N File:HW4.pdf (current)
- 11:01, 13 November 2013 (diff | hist) . . (+87) . . GradQuantumFall2013 (→Grading & Due Dates)
- 10:25, 7 November 2013 (diff | hist) . . (0) . . N File:CH3.xyz (current)
- 09:46, 5 November 2013 (diff | hist) . . (+35) . . NWChem (→Running NWChem)
- 09:44, 5 November 2013 (diff | hist) . . (+2,135) . . NWChem
- 11:02, 4 November 2013 (diff | hist) . . (+970) . . NWChem
- 10:52, 4 November 2013 (diff | hist) . . (+4) . . NWChem
- 10:47, 4 November 2013 (diff | hist) . . (+440) . . NWChem
- 10:30, 4 November 2013 (diff | hist) . . (+1,181) . . N NWChem (Created page with "A simple SCF energy calculation on the input file '''start.xyz''' can be done with: start en_scf title "Pople SCF energy" geometry units angstrom load start.xyz end ba…")
- 10:11, 4 November 2013 (diff | hist) . . (+1,711) . . N Code:SGE (Created page with "Here's a basic template for queuing a job using MPI (here 4 cpus and 6h max run-time). <source lang="bash"> #$ -N a-test-job #$ -cwd #$ -o job-$JOB_ID.out #$ -e job-$JOB_ID.err …")
- 10:02, 4 November 2013 (diff | hist) . . (+190) . . Code
- 09:46, 4 November 2013 (diff | hist) . . (+303) . . Courses
- 14:15, 2 November 2013 (diff | hist) . . (+15) . . HowTo:AndroidPhoto (current)
- 14:14, 2 November 2013 (diff | hist) . . (+1,191) . . N HowTo:AndroidPhoto (Created page with "One-time setup: <source lang="bash"> aptitude install libusb1-dev golang-go mtp-tools fuse-utils libfuse2 mtp-detect # (will tell you specific vendor and product id) # These id-s…")
- 14:07, 2 November 2013 (diff | hist) . . (+57) . . HowTo
- 14:54, 31 October 2013 (diff | hist) . . (0) . . N File:HW3.pdf (current)
- 14:54, 31 October 2013 (diff | hist) . . (+101) . . GradQuantumFall2013 (→Grading & Due Dates)
- 10:55, 24 October 2013 (diff | hist) . . (+30) . . N HowTo:ScreeCast (moved HowTo:ScreeCast to HowTo:ScreenCast: Today's letter is 'n'.) (current)
- 10:55, 24 October 2013 (diff | hist) . . (0) . . m HowTo:ScreenCast (moved HowTo:ScreeCast to HowTo:ScreenCast: Today's letter is 'n'.) (current)
- 10:54, 24 October 2013 (diff | hist) . . (+1) . . m HowTo
- 10:53, 24 October 2013 (diff | hist) . . (+1,723) . . N HowTo:ScreenCast (Created page with "On Mac OSX, you should be able to create screen recordings from QuickTime (File -> Screen Recording). There are two great methods for screen capture on Linux. The first is an o…")
- 10:45, 24 October 2013 (diff | hist) . . (+33) . . HowTo
- 18:23, 21 October 2013 (diff | hist) . . (-4) . . Positions available (current)
- 18:23, 21 October 2013 (diff | hist) . . (+273) . . Positions available
- 18:16, 21 October 2013 (diff | hist) . . (+731) . . Positions available
- 16:34, 21 October 2013 (diff | hist) . . (+1,054) . . N Positions available (Created page with "Tuition and living expenses for four years in warm, sunny Tampa are available to pay for two students to move through graduate school and earn a Ph.D. in computational physical c…")
- 16:23, 21 October 2013 (diff | hist) . . (+201) . . Main Page
- 10:48, 18 October 2013 (diff | hist) . . (+74) . . GradQuantumFall2013 (→List of Group Study Topics)
- 09:37, 16 October 2013 (diff | hist) . . (+40) . . GradQuantumFall2013 (→List of Group Study Topics)
- 13:04, 24 September 2013 (diff | hist) . . (+528) . . GradQuantumFall2013 (→List of Group Study Topics)
- 15:38, 23 September 2013 (diff | hist) . . (+479) . . Links (current)
- 15:14, 23 September 2013 (diff | hist) . . (+150) . . Links
- 15:13, 23 September 2013 (diff | hist) . . (+1,320) . . N Links (Created page with "* [http://boundaries-in-biophysics.org/ Jaydeep Bardhan] - proteins and boundary element methods * [http://seneca.fis.ucm.es/ U Complutense Statistical Mechanics Group] - dispers…")
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