From 0bf01ed801fe117ef7ed18cd78150e17a504d5a4 Mon Sep 17 00:00:00 2001
From: "Andrew E. Torda" <torda@zbh.uni-hamburg.de>
Date: Wed, 29 Dec 2021 11:27:53 +0100
Subject: [PATCH] Tidying before the experiment with plotting.
---
ackwork/dorun.go | 16 +++++++++-------
1 file changed, 9 insertions(+), 7 deletions(-)
diff --git a/ackwork/dorun.go b/ackwork/dorun.go
index 4f0879d..6551354 100644
--- a/ackwork/dorun.go
+++ b/ackwork/dorun.go
@@ -32,7 +32,7 @@ type cprm struct { // parameters calculated from input
fOut io.WriteCloser
}
-// setupRun does things like get the cooling rate
+// setupRun does things like get the cooling rate, seed the random numbers.
func setupRun(mcPrm *mcPrm, cprm *cprm) error {
var err error
if mcPrm.dummy == true {
@@ -40,16 +40,15 @@ func setupRun(mcPrm *mcPrm, cprm *cprm) error {
}
cprm.rand = rand.New(rand.NewSource(getSeed()))
- if mcPrm.iniTmp != mcPrm.fnlTmp {
+ if mcPrm.iniTmp != mcPrm.fnlTmp { // cooling or constant temperature ?
var coolrate float64
cprm.coolme = true
if mcPrm.fnlTmp > mcPrm.iniTmp {
- // would you like to print out a warning ?
+ return fmt.Errorf ("Final temp %g higher than initial temp %g", mcPrm.fnlTmp, mcPrm.iniTmp)
}
nStep := float64(mcPrm.nStep)
fnlTmp, iniTmp := float64(mcPrm.fnlTmp), float64(mcPrm.iniTmp)
- if fnlTmp < 0.01 {
- breaker()
+ if fnlTmp == 0 {
fnlTmp = math.SmallestNonzeroFloat32
}
coolrate = -1 / nStep
@@ -67,7 +66,8 @@ func setupRun(mcPrm *mcPrm, cprm *cprm) error {
return nil
}
-// newx gets a candidate x slice
+// newx gets a candidate x slice. We have n dimensions, so a candidate
+// move is a slice of length n.
func newx(xold []float32, xT []float32, rand *rand.Rand, xDlta float32) {
for i, x := range xold {
t := 2.*rand.Float32() - 1
@@ -76,6 +76,8 @@ func newx(xold []float32, xT []float32, rand *rand.Rand, xDlta float32) {
}
}
func breaker() {}
+// doRun does a Monte Carlo run. Although single precision is fine for the
+// coordinates and function, we use double precision for the temperature.
func doRun(mcPrm *mcPrm) error {
var cprm cprm
if err := setupRun(mcPrm, &cprm); err != nil {
@@ -143,7 +145,7 @@ func doRun(mcPrm *mcPrm) error {
runAcc = runMult*runAcc + (1.0 - runMult)
copy(x, xT)
fOld = fTrial
- } else {
+ } else { // update the running estimate of acceptance
runAcc = runMult * runAcc
}
if cprm.coolme {
--
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