Recent changes to Users.Programs.mol_MonteCarlo

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 15 Nov 2013 07:18:35 -0000

--- v12
+++ v13
@@ -11,11 +11,11 @@
 * [The MATLAB function mol_MonteCarlo.m](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/mol_MonteCarlo.m)

-* [Analysis of MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/analyze.m) 
+* [Analysis of MC data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/analyze.m) 

-* [Graphs of MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/plot.m) 
+* [Graphs of MC data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/plot.m) 

-* [Saving MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/save.m) 
+* [Saving MC data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/save.m) 

 File I/O

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 07 Jun 2013 12:01:18 -0000

--- v11
+++ v12
@@ -38,9 +38,4 @@
 Algorithms
 ----------

-* [Single particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/single.m) 
-
-* [Multi particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/multi.m) 
- 
-* [Simulated annealing](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/anneal.m) 
- 
+* For a list of implemented algorithms, see [here](Developers.Variables.dynamics.mc)

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Wed, 05 Jun 2013 16:54:09 -0000

--- v10
+++ v11
@@ -8,8 +8,14 @@
 Source code
 -----------

-The MATLAB function mol_MonteCarlo.m can be found [here](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/mol_MonteCarlo.m)
+* [The MATLAB function mol_MonteCarlo.m](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/mol_MonteCarlo.m)

+
+* [Analysis of MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/analyze.m) 
+
+* [Graphs of MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/plot.m) 
+ 
+* [Saving MD data](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/save.m) 

 File I/O

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Wed, 05 Jun 2013 16:49:08 -0000

--- v9
+++ v10
@@ -10,12 +10,7 @@

 The MATLAB function mol_MonteCarlo.m can be found [here](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/mol_MonteCarlo.m)

-* [Single particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/mc_single.m) 

-* [Multi particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/mc_multi.m) 
- 
-* [Simulated annealing](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+dyn/mc_anneal.m) 
- 

 File I/O
 --------
@@ -36,3 +31,10 @@

 Algorithms
 ----------
+
+* [Single particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/single.m) 
+
+* [Multi particle move](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/multi.m) 
+ 
+* [Simulated annealing](https://sourceforge.net/p/trajlab/moldynsim/code/HEAD/tree/trunk/Sources/+mc/anneal.m) 
+

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:46:23 -0000

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:39:45 -0000

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:39:18 -0000

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:38:51 -0000

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 10:38:25 -0000

--- v4
+++ v5
@@ -29,6 +29,7 @@

 * [molecule](Developers.Variables.molecule)
 * [simulation](Developers.Variables.simulation)
+* [initial](Developers.Variables.initial)
 * [intra](Developers.Variables.intra)
 * [inter](Developers.Variables.inter)
 * [dynamics](Developers.Variables.dynamics)

Users.Programs.mol_MonteCarlo modified by Burkhard Schmidt

Burkhard Schmidt — Fri, 31 May 2013 08:23:26 -0000

--- v3
+++ v4
@@ -1,7 +1,9 @@
 mol_MonteCarlo.m: Monte Carlo simulations
 =========================================

-Starting from a given configuration (in many but not in all cases a minimum energy configuration), the MATLAB function mol_MonteCarlo.m generates a random walk sequence of conformations, which should - theoretically - be distributed according to a canonical NVT distribution. There are various strategies how to generate trial moves, see below. As a variant, there this code can also perform simulated annealing simulations, where a global minimum of the potential energy surface is searched by means of an MC simulation, in which the temperature is reduced slowly enough.
+Starting from a given configuration (in many but not in all cases a minimum energy configuration), the MATLAB function mol_MonteCarlo.m generates a random walk sequence of conformations, which should - theoretically - be distributed according to a canonical NVT distribution. There are various strategies how to generate trial moves, see below. 
+
+As a variant, this code can also perform simulated annealing simulations, where a global minimum of the potential energy surface is searched by means of an MC simulation, in which the temperature is reduced slowly enough. This represents a promising alternative to the direct energy minimization algorithms implemented in the [mol_Optimize](Users.Programs.mol_Optimize) code.

 Source code
 -----------