Workshop

This repository provides example and instruction to learn about GOMC and its capabilities. In each direcoty, there is a README.txt or pdf file to instruct the user.

The order of performing the workshop is as follow :

1. NVT/argon/build
2. NVT/argon/argon_T_120K
3. NVT/butane/build
4. NVT/butane/butane_T_300K
5. NVT/DPC_Martini
6. NPT/SPCE
7. NPT/TIP4P/build
8. NPT/TIP4P
9. NVT_GEMC/argon/build
10. NVT_GEMC/argon/argon_T_120K
11. NVT_GEMC/argon/argon_T_110K
12. NVT_GEMC/argon_krypton/AR_KR_T_143.15K
13. adsorption/GCMC/argon_IRMOF_1/build/reservoir
14. adsorption/GCMC/argon_IRMOF_1/build/base
15. adsorption/GCMC/argon_IRMOF_1/argon_5_bar
16. adsorption/GCMC/CO2_IRMOF_1/build/reservoir
17. adsorption/GCMC/CO2_IRMOF_1/build/base
18. adsorption/GCMC/CO2_IRMOF_1/CO2_1_bar
19. adsorption/NPT_GEMC/build/reservoir
20. adsorption/NPT_GEMC/argon_5.0_bar
21. adsorption/NPT_GEMC/argon_10.0_bar
22. GCMC/argon