Pinned Repositories
Advanced_Practical_Chemistry_Year_3
Advanced_Practical_Chemistry_Year_3_2021
Advanced_Practical_Chemistry_Year_3_2021
Interfacial_Energetics_DL_POLY
This bundle of shell and python scripts calculates the interfacial energy and work of adhesion from DL_POLY simulations.
MeganStalker
extended bio
Restart_DL_POLY_Simulations
This shell script restarts DL_POLY simulations - enabling simulations to be run over multiple jobs.
Stitch_up_DL_POLY_Simulations
This shell script concatenates and checks for corruption in the output files generated by performing a DL_POLY simulation and restarted using the restart.sh script.
Visualise_DL_POLY_Convergence
This bundle of shell and python scripts aims to help determine whether or not a given DL_POLY simulation has converged.
Advanced_Practical_Chemistry_Year_3
MeganStalker's Repositories
MeganStalker/Advanced_Practical_Chemistry_Year_3
MeganStalker/Advanced_Practical_Chemistry_Year_3_2021
Advanced_Practical_Chemistry_Year_3_2021
MeganStalker/Interfacial_Energetics_DL_POLY
This bundle of shell and python scripts calculates the interfacial energy and work of adhesion from DL_POLY simulations.
MeganStalker/MeganStalker
extended bio
MeganStalker/Restart_DL_POLY_Simulations
This shell script restarts DL_POLY simulations - enabling simulations to be run over multiple jobs.
MeganStalker/Stitch_up_DL_POLY_Simulations
This shell script concatenates and checks for corruption in the output files generated by performing a DL_POLY simulation and restarted using the restart.sh script.
MeganStalker/Visualise_DL_POLY_Convergence
This bundle of shell and python scripts aims to help determine whether or not a given DL_POLY simulation has converged.