GOMC-WSU / Workshop

This repository provides example and instruction to learn about GOMC and its capabilities.

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