Split-op in Haskell #357

jiegillet · 2018-08-19T07:25:04Z

Added split-op
Added energy in quantum systems
Added gnuplot script to render the wave function outputs

Added energy calculations. Added a gnuplotscript to visualize wavefunctions.

leios · 2018-09-10T23:47:14Z

It doesn't look like anyone is stepping up to review this one. Mind if I do it?

jiegillet · 2018-09-10T23:57:38Z

I'd be honored. Feel free to ask me to walk you through things you don't understand.

leios · 2018-09-10T23:58:20Z

I almost certainly will. Thanks!

Butt4cak3 · 2018-09-14T19:37:18Z

I'll assign you real quick for a better overview in the PR list.

leios

I am not really qualified to review haskell syntax, but you always have great code so I trust you there...

I mainly just asked a few stupid questions to learn bit more. No changes requested in the code.

leios · 2018-09-21T22:46:48Z

contents/quantum_systems/code/haskell/Energy.hs

+calculateEnergy :: Double -> Vector -> Vector -> Vector -> Double
+calculateEnergy dx kin pot wfc = (* dx) . sum . map realPart $ elems total
+ where
+ total = liftArray2 (+) kineticE potentialE


What does liftArray2 do in this case? I assume it's some sort of 2D map?

Yes, kineticE potentialE are both vectors that I want to add term by term, so I'm mapping (+) into them.

leios · 2018-09-21T22:47:13Z

contents/quantum_systems/code/haskell/Energy.hs

@@ -0,0 +1,14 @@
+import Data.Array.CArray
+import Data.Complex
+import Math.FFT (dft, idft) -- Binding to fftw


Does this require special build instructions?

Installing the Haskell package is nothing special if I recall correctly, installing fftw3 is more involved, but you'd need to do that anyway.

leios · 2018-09-21T22:48:00Z

contents/split-operator_method/code/haskell/splitOp.hs

@@ -0,0 +1,107 @@
+{-# LANGUAGE FlexibleContexts #-}


What does this do?

It lets line 71 work. I don't fully understand why or how, basically the compiler told me to use this. It's not like I'm doing anything fancy.

leios · 2018-09-21T22:49:14Z

contents/split-operator_method/code/haskell/splitOp.hs

+
+makeParameters :: Double -> Int -> Double -> Int -> Bool -> Parameters
+makeParameters xmax res dt timesteps imTime =
+ let fi = fromIntegral


What does this mean?

fi = fromIntegral? I'm just giving fromIntegral a shorter name so I can fit things on a single line. Maybe it's a bad idea.

I was asking what fromIntegral does. Sorry that was unclear.

It casts an integer into another numerical value. In Haskell you can't add an Int to a Double or even an Integer, which can be a pain point :)

leios · 2018-09-21T22:56:10Z

contents/split-operator_method/code/haskell/splitOp.hs

+ where
+ splitop op = op {wfc = wfc' op}
+ wfc' = norm . (rStep .*) . idft . (kStep .*) . dft . (rStep .*) . wfc
+ a .* b = liftArray2 (*) a b


I am having trouble reading this line because I am bad at haskell. Could you just say what it is doing?

a .* b = liftArray2 (*) a b? It's just defining a shorter notation for liftArray2 (*) a b. It makes line 69 much easier to understand.
But since I'm defining the same thing somewhere else, I'll refactor this definitions out.

Yeah. I got confused because of functional notation and not really following what liftArray2 was. This is clear now. Thanks!

leios · 2018-09-21T22:58:26Z

contents/split-operator_method/code/haskell/splitOp.hs

+ values = map (map (show . realPart) . elems) [x param, density, v]
+ in intercalate "\n" $ map (intercalate "\t") $ transpose values
+ export (i, f) = writeFile ("output" ++ pad (show i) ++ ".dat") f
+ pad n = replicate (5 - length n) '0' ++ n


replicate?

replicate n x outputs a list with n identical x. I'm using it to pad the integer with zeros.

leios · 2018-09-21T22:59:11Z

contents/split-operator_method/plot_output.plt

@@ -0,0 +1,24 @@
+# use like: gnuplot -e "folder='/path/to/output/directory'" plot_output.plt


I like this. Should we put it in a more common directory and call it from other languages too?

Yeah, in fact I've placed it in contents/split-operator_method. I can place it in a dedicated folder if you like.

* adding changes to update all julia code to V1.0 * adding more points to graham.jl

* initial commit * Programming done * Minor style changes. Merge ready * hopefully fix PR * minor edits for code readability * indexed main procedure * fix typo

* implementation and documentary * minor code clean up * fixing git again... * Delete monte_carlo_pi.f90 again fortan file automagically appears. * code style changes * code style * indexed main procedure

* Refactored .*, .+ and normalization operators * Got rid of {-# LANGUAGE FlexibleContexts #-} by giving explicit signature to normalize * Small cosmetic changes

jiegillet · 2018-09-25T02:48:26Z

Whoops, seems I messed up my commit. Please hold.

leios · 2018-09-25T20:39:14Z

So, to be clear: You are happy with the code, we just need to make sure it can merge in to the master branch?

jiegillet · 2018-09-25T23:37:25Z

Yes, unless you have more comments after I answered your questions. Actually I have one last question, are you happy with the gnuplot next to the .md files or should I make a dedicated folder? Maybe contents/split-operator_method/plot or contents/split-operator_method/code/gnuplot

leios · 2018-09-25T23:38:22Z

yeah contents/split-operator_method/code/gnuplot is preferred here.

jiegillet · 2018-09-26T03:08:32Z

Should be OK now. I moved the gnuplot script and I've cleaned up the code a bit, refactored some lines and got rid of FlexibleContexts.

leios · 2018-09-26T20:39:27Z

Hey @jiegillet are the line numbers in the .md file correct?

jiegillet · 2018-09-28T01:50:43Z

Whoops. Should be good now

leios · 2018-09-28T01:51:26Z

Cool, I'll build it locally. I am still a bit worried about all the "new" files that seem to be from previous commits, but I checked those locally and it seemed fine?

jiegillet · 2018-09-28T04:11:36Z

It happened before. Turned out OK. All "changes" that show in the other files have already been applied.

leios

good.

jiegillet added 4 commits August 19, 2018 16:02

Added split-op in Haskell.

14ef77e

Added energy calculations. Added a gnuplotscript to visualize wavefunctions.

Changed contributors? Not sure

0417e66

merge conflicts

de4efb3

Included code to chapter

d3db55a

jiegillet added the Implementation This provides an implementation for an algorithm. (Code and maybe md files are edited.) label Aug 19, 2018

Butt4cak3 assigned leios Sep 14, 2018

leios reviewed Sep 21, 2018

View reviewed changes

leios and others added 5 commits September 24, 2018 12:59

Update all julia code to V1.0 (algorithm-archivists#389)

5f65836

* adding changes to update all julia code to V1.0 * adding more points to graham.jl

Verlet integration in Fortran90 (algorithm-archivists#364)

844fe44

* initial commit * Programming done * Minor style changes. Merge ready * hopefully fix PR * minor edits for code readability * indexed main procedure * fix typo

Euclidean's algorithm in Fortran90 (algorithm-archivists#369)

6b79ffe

* implementation and documentary * minor code clean up * fixing git again... * Delete monte_carlo_pi.f90 again fortan file automagically appears. * code style changes * code style * indexed main procedure

merging to other computer

8d8ffe4

Cleaned up code

c8ba5a6

* Refactored .*, .+ and normalization operators * Got rid of {-# LANGUAGE FlexibleContexts #-} by giving explicit signature to normalize * Small cosmetic changes

Undid change to CONTTRIBUTORS.md

c0a8f7b

jiegillet added 2 commits September 26, 2018 08:44

Moved gnuplot script to own folder and updated instructions to use it

98d0dba

Removed old plot script

2a4fee6

Changed import lines

18bba42

leios approved these changes Sep 28, 2018

View reviewed changes

leios merged commit 7f7fd3b into algorithm-archivists:master Sep 28, 2018

jiegillet deleted the haskell-split-op branch September 29, 2018 04:13

		@@ -0,0 +1,24 @@
		# use like: gnuplot -e "folder='/path/to/output/directory'" plot_output.plt

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Split-op in Haskell #357

Split-op in Haskell #357

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jiegillet commented Aug 19, 2018

leios commented Sep 10, 2018

jiegillet commented Sep 10, 2018

leios commented Sep 10, 2018

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