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 :
- NVT/argon/build
- NVT/argon/argon_T_120K
- NVT/butane/build
- NVT/butane/butane_T_300K
- NVT/DPC_Martini
- NPT/SPCE
- NPT/TIP4P/build
- NPT/TIP4P
- NVT_GEMC/argon/build
- NVT_GEMC/argon/argon_T_120K
- NVT_GEMC/argon/argon_T_110K
- NVT_GEMC/argon_krypton/AR_KR_T_143.15K
- adsorption/GCMC/argon_IRMOF_1/build/reservoir
- adsorption/GCMC/argon_IRMOF_1/build/base
- adsorption/GCMC/argon_IRMOF_1/argon_5_bar
- adsorption/GCMC/CO2_IRMOF_1/build/reservoir
- adsorption/GCMC/CO2_IRMOF_1/build/base
- adsorption/GCMC/CO2_IRMOF_1/CO2_1_bar
- adsorption/NPT_GEMC/build/reservoir
- adsorption/NPT_GEMC/argon_5.0_bar
- adsorption/NPT_GEMC/argon_10.0_bar
- GCMC/argon