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

License: GNU Affero General Public License v3.0

Shell 0.35% C++ 17.33% Fortran 66.42% Tcl 15.90%

workshop's Introduction

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

workshop's People

Contributors

msoroush avatar jpotoff avatar gomc-wsu avatar

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