This is a repository containing the source code and data for my master thesis in the Service de Physique des Systèmes Complexes et Mécanique Statistique at the Université Libre de Bruxelles.
The code is built upon the classicalDFT library, written by my supervisor James F. Lutsko. The original repository for the library is
https://github.com/jimlutsko/classicalDFT
commit 9b5e7e6e5f0140b4cbc87a15de89753ad89e5144
- Setup and compile the library:
cd Lib
../Config.sh
../dft_make.sh
- Compile the source code for phase diagram calculations:
cd Cedric_Memoire_Code
./compile_everything.sh
- Other pieces of code can be found elsewhere and are generally come along scripts with explicit names indicating their purpose, e.g.
compile.sh
collect_data.sh
run_coexistence.sh
plot_everything.sh
| Directory | Purpose |
|---|---|
| Cedric_Memoire_Code | Source code for my DFT calculations |
| Cedric_Memoire_Data | Where the code is executed and data collected |
| Cedric_Memoire_Other | Additional content not related to DFT calculations |
| Lib | classicalDFT library |
| SS31-Mar-2016 | Pre-compiled weights for spherical integrations |
The main branch is Cedric_Memoire.
The branches Cedric_Memoire_preFeb2020 and Cedric_Memoire_preMay2020 are older versions of the code that I kept as backup.