Merge branch 'devel'

Makefile

-# Use the normal go build system for everything, but we want to automate some simple
-# commands.
-
+# Use the normal go build system for everything, but we want to automate some
+# simple commands. Unlike most makefiles, there are no dependencies for the
+# executables. We let go's build commands take care of that.
 .POSIX:
 
 GO=go
@@ -9,12 +9,16 @@ GOFMT=gofmt
 # The lint target only makes sense for Andrew's setup.
 LINTER=~/go/bin/linux_amd64/golangci-lint
 
+
 all:
-	$(GO) build -o bin .
-	$(GO) build -o bin/ackley_nogfx  -tags no_gfx --  .
+	GOOS=linux GOARCH=amd64 $(GO) build -o bin/ .
+	GOOS=linux GOARCH=amd64 $(GO) build -o bin/ackley_nogfx  -tags no_gfx --  .
 	GOOS=darwin GOARCH=amd64 $(GO) build -o bin/ackley_darwinamd64_nogfx -tags no_gfx -- .
 	GOOS=darwin GOARCH=arm64 $(GO) build -o bin/ackley_darwinarm64_nogfx -tags no_gfx -- .
-	GOOS=windows GOARCH=amd64 $(GO) build -o bin/ackley_win_nogfx -tags no_gfx -- .
+	GOOS=windows GOARCH=amd64 $(GO) build -o bin/ackley_nogfx.exe -tags no_gfx -- .
+
+win:
+	GOOS=windows GOARCH=amd64 $(GO) build -o bin -- .
 
 test:
 	$(GO) test ./...
@@ -29,6 +33,7 @@ lint:
 clean:
 	$(GO) clean
 	rm -rf bin/*
+	rm -rf examples/*.csv
 	rm -rf */*_delme.*
 	rm -rf */test_tmp*
 	rm -rf /tmp/go-build[0-9]*

bin/.gitignore

+ackley*
+

docs/doc.go

 // Dec 2021
 
 /*
-ackley is for teaching. We use Monte Carlo to sample Ackley's function
+ackley_mc is for teaching. We use Monte Carlo to sample Ackley's function
 in N dimensions or perhaps with simulated annealing to optimise it.
+
+# Running
+
 To run it
-  ackley input_file
-where input_file contains a set of name-value pairs described below or perhaps
-  ackley
-If compiled with the graphical interface, it will run the program, load some default values and let you play with it.
+  ackley_mc [ input_file ]
+or
+  ackley_mc input_file
+if it was not compiled with the graphical interface. The difference is that the input_file is not optional when there is no graphical interface.
 
+If you are running with the graphical interface, you do not need an input file and some default values will be loaded. 
 
-Input parameters
+
+# Input parameters
 
 These are defined in rdprm.go. The defaults look like
 	ini_temp  1
 	final_temp ""
 	n_step  1000
 	n_equil  0
-	n_run  1
 	x_ini  3,4,5
 	x_delta  0.5
 	seed  1637
@@ -29,11 +33,10 @@ These are defined in rdprm.go. The defaults look like
 
 and they have the meaning
 	ini_temp     initial temperature
-	final_temp   final temperature
+	final_temp   final temperature. If this is set, we are doing annealing. If it is not set, it will be the same as ini_temp, and this will be a constant temperature run.
 	n_step       number of steps
-	n_equil      number of steps of equilibration
-	n_run        number of runs. This does not do anything and should be deleted
-	x_ini  3,4,5 initial values for x. It is a comma separated list with no spaces allowed
+	n_equil      number of steps of equilibration. The Monte Carlo routine is called twice. The first time, with this many steps. The results are then thrown away, since they were only there for equilibration.
+	x_ini        initial values for x. It is a comma separated list with no spaces allowed. It is used to determine the number of dimension. A value like "1" would give you one dimension whose initial value is 1. A value like "-1,0,1,2" would give you a four dimensional system with initial values at -1, 0, 1 and 2.
 	x_delta  0.5 used to decide on the maximum step size
 	seed  1637   seed for the random number generator
 	foutname  ""
@@ -44,6 +47,35 @@ and they have the meaning
 If a final_temp is not specified, set the final temp to be the same as the initial temperature and do a run at constant temperature.
 If final_temp is lower than initial temperature, we will do simulated annealing.
 
+<<<<<<< HEAD
 Adaptive step sizes have been removed. They might come back later, but they made the main loop hard to read and the aim is just to provide a model for teaching.
+=======
+foutname is where a csv file will be written with values for plotting.
+
+xpltname is where a png file will be written with a plot of coordinates.
+
+Anything in the file after a hash (#) symbol will be treated as a comment.
+
+Any items which are mis-spelled will provoke an error.
+
+# Output
+
+If you are running with the graphical interface, the emphasis is on quickly playing with parameters. There are buttons which let you dump a plot to a file in .png format.
+
+Running without the graphical interface, you should specify `foutname.csv` and you will get a .csv file that you can feed into almost any plotting program. The format on each line looks like
+
+ 0,0.1,5.8874,-1.5,0.5,1
+ 1,0.1,5.9918,-1.73,0.5,1
+ 2,0.1,5.9968,-1.73,0.514,1
+
+which is
+ - step number
+ - temperature
+ - function value
+ - x1, x2, x3, ...
+
+So if you want to plot the function value as a function of step, you would plot column 1 on the x-axis and column 3 on the y-axis. To plot the coordinates in the example above, you would plot columns 4, 5 and 6 on the y-axis.
+
+>>>>>>> devel
 */
 package ackley_doc

examples/q1

+# For the Uebung
+ini_temp 0.1
+n_step 500000
+x_ini -1.5,0.5,1
+x_delta 0.5
+seed 1699
+foutname q1.csv

examples/q_2dlong

+vini_temp 0.1
+n_step 100000
+x_ini -0.5,0.5
+x_delta 0.5
+seed 1699
+foutname q2d.csv

examples/q_2dlongbigstep

+ini_temp 0.1
+n_step 100000
+x_ini -0.5,0.5
+x_delta 2
+seed 1699
+foutname q2dbigstep.csv

examples/q_cold

+# For the Uebung
+ini_temp 0.01
+n_step 50000
+x_ini -5,-4,-3,-2,-1,0,1,2,3,4,5
+x_delta 0.5
+seed 1699
+foutname q1.csv

examples/q_distribution

+ini_temp 0.1
+n_step 10000
+x_ini -1,1
+x_delta 0.5
+seed 1699
+foutname q_dist.csv

examples/q_entropy

+ini_temp 5
+n_step 50000
+x_ini -1,0,1
+x_delta 0.5
+seed 1699
+foutname q_dist.csv

examples/q_equil

+# For the Uebung
+ini_temp 0.1
+n_step 5000
+x_ini -5,-4,-3,-2,-1,0,1,2,3,4,5
+x_delta 0.5
+seed 1699
+foutname q1.csv