Welcome to classicalDFT
This is a suite of code for doing classical DFT calculations. Documentation will eventually appear here.
The main branch of this repository is no longer supported: all functionality will eventually be restored in a new branch called “MultiSpecies”.
What things you need to install the software and how to install them
- Perform the following to setup and compile the library:
- To build the model application do the following
You can cd into TEST and run using ../Droplet input.dat.
- The Config.sh command is only run the first time the application is created. It configures things for cmake.
- Rebuild using ../dft_make.sh. Note that this also takes three possible arguments in any order: “clean”, “debug” and “lib”. Their effects are as follows:
- “clean” causes a clean build (all objects are first deleted)
- “debug” performs a debug build
- “lib” causes the libraries to be rebuilt also.
- Note that “dft_make.sh debug lib” causes both the app and the libraries to be built in debug mode. Similarly, “dft_make.sh lib” causes both to be built in release mode.
- The first few lines of CMakeLists.txt contain information that you will want to modify if this is used as a model to create another application.
This project is licensed under the GNU General Public License v3.0 - see the LICENSE.md file for details
- Development was funded by ESA