Tool.xml
From Zori Wiki
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Overview
Probably, the best reference for editing this file is the Rappture Wiki (https://developer.nanohub.org/projects/rappture/). Nevertheless the way this is configured for running ZOPI is in a four-tab fashion, where each tab is in charge of running the different Zori tools (Create Walkers, VMC, DMC, Optimization). The <tool> section is in charge of linking this .xml file to the running file, zopi.py. Another limit has been added so that you can run for a time of 15 days (that amount of seconds) and a certain amount of memory. It can be changed easily, although it is advised not to put unlimited running time.
Nevertheless, these have a menu that is repeated in every tab which prompts which tool is wanted to run. More than one can be run and they will be executed in a left-to-right fashion. In the name of file page, the program automatically assigns a .xml ending, so it is not needed to be included. Note to developers. (Rappture now allows to enable and disable menus, so maybe it could be a good implementation).
Most sections have default values. Please feel free to change those at will.
Finally, it is important to note that most of Zopi tries to be compartmentalized for an easier understanding of all the options. This is done with the group id option. If they are setup linearly, tabs will show up, whereas if they are setup one after another, smaller windows will show up.
Create Walkers
Two simple groups are used:
- Create
- Parameters
VMC
VMC has the Algorithm Type choice option.
- Random Walk: It has two tabs, one of which is Check. It is most likely not needed. It will probably be extracted from this program by future developers.
- Parameters: A new sub-section is added in which the random information shows up.
DMC
(In development) So far, four algorithms have been uploaded, of which ReynoldsAdaptiveSingle has to be checked.
- Random Walk: It has a lot more windows and should be careful not to confuse each one.
- A DMC-check algorithm should be in the making. It would be really helpful to activate and deactivate the tabs.
- The Sub Steps option should also be activated and deactivated (for better use and to avoid confusion.
Optimization
It should be checked over that OPT++ is properly installed. The GSL part does not work very well, so OPT++ is the way to go right now. Also, not all the OPT++ have been tested.
There are a lot of more sub-menus. It would be good to organize these in a better fashion.
