Codes for data analysis on molecular simulation data.

Name		Name	Last commit message	Last commit date
Latest commit History 118 Commits
Rcpp		Rcpp
log_functions		log_functions
stationary_test		stationary_test
.gitattributes		.gitattributes
.gitignore		.gitignore
MSD_g0.R		MSD_g0.R
MSD_g0_atom_type.R		MSD_g0_atom_type.R
MSD_g1.R		MSD_g1.R
MSD_g2.R		MSD_g2.R
MSD_scaled_g0.R		MSD_scaled_g0.R
MSD_scaled_g0_Tmean.R		MSD_scaled_g0_Tmean.R
MSD_scaled_g0_revised.R		MSD_scaled_g0_revised.R
MSD_scaled_g1.R		MSD_scaled_g1.R
MSD_scaled_g1_Tmean.R		MSD_scaled_g1_Tmean.R
MSD_scaled_g1_revised.R		MSD_scaled_g1_revised.R
MSD_scaled_g2.R		MSD_scaled_g2.R
MSD_scaled_g2_Tmean.R		MSD_scaled_g2_Tmean.R
MSD_scaled_g2_revised.R		MSD_scaled_g2_revised.R
MSD_unscaled_g0_Tmean.R		MSD_unscaled_g0_Tmean.R
MSD_unscaled_g1_Tmean.R		MSD_unscaled_g1_Tmean.R
MSD_unscaled_g2_Tmean.R		MSD_unscaled_g2_Tmean.R
NGP_alpha_on_new_PMMA_and_PS.Rmd		NGP_alpha_on_new_PMMA_and_PS.Rmd
PMMA_simulation_report.Rmd		PMMA_simulation_report.Rmd
Presentation.Rmd		Presentation.Rmd
README.md		README.md
cv_all_models_all_metrics.R		cv_all_models_all_metrics.R
cv_metric_polymer2.R		cv_metric_polymer2.R
cv_performance_lm.R		cv_performance_lm.R
file_names_instruction.txt		file_names_instruction.txt
input_script		input_script
lammps.Rproj		lammps.Rproj
log_scrape.sh		log_scrape.sh
long_to_wide.R		long_to_wide.R
map_pc.R		map_pc.R
monomer_id_test.R		monomer_id_test.R
mpi-lammps.slurm		mpi-lammps.slurm
optimization_test.R		optimization_test.R
optimization_test.Rmd		optimization_test.Rmd
submit_job_PS_PMMA.R		submit_job_PS_PMMA.R
submit_job_Tmean.R		submit_job_Tmean.R

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