User contributions
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- 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)
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