===================================================== Content of ZIP archive SI.zip ===================================================== Archive: SI.zip Length Date Time Name --------- ---------- ----- ---- 0 01-22-2019 17:47 SI/ 284516 01-22-2019 17:47 SI/SIfig10_ethane_NPT_compRDFs.agr 103171 01-22-2019 17:47 SI/SIfig10_ethane_NPT_compRDFs.png 335398 01-22-2019 17:47 SI/SIfig11_methanol_NPT_compRDFs.agr 105536 01-22-2019 17:47 SI/SIfig11_methanol_NPT_compRDFs.png 56524 01-22-2019 17:47 SI/SIfig12_predictedsims_voldists.agr 126556 01-22-2019 17:47 SI/SIfig12_predictedsims_voldists.png 134571 01-22-2019 17:47 SI/SIfig1_voldist_pv.agr 143911 01-22-2019 17:47 SI/SIfig1_voldist_pv.png 259978 01-22-2019 17:47 SI/SIfig2_predictU.agr 62044 01-22-2019 17:47 SI/SIfig2_predictU.png 55724 01-22-2019 17:47 SI/SIfig3_voldist_pv_addl.agr 106027 01-22-2019 17:47 SI/SIfig3_voldist_pv_addl.png 64468 01-22-2019 17:47 SI/SIfig3_voldist_pv_all_iters.agr 233321 01-22-2019 17:47 SI/SIfig3_voldist_pv_all_iters.eps 127159 01-22-2019 17:47 SI/SIfig3_voldist_pv_all_iters.png 67709 01-22-2019 17:47 SI/SIfig3_voldist_pv_all_iters.ps 135466 01-22-2019 17:47 SI/SIfig4_ethane_NVT_compRDFs.agr 65585 01-22-2019 17:47 SI/SIfig4_ethane_NVT_compRDFs.png 169839 01-22-2019 17:47 SI/SIfig5_methanol_NVT_compRDFs.agr 74520 01-22-2019 17:47 SI/SIfig5_methanol_NVT_compRDFs.png 197730 01-22-2019 17:47 SI/SIfig6_ethane_NPT_compRDFs.agr 99616 01-22-2019 17:47 SI/SIfig6_ethane_NPT_compRDFs.png 235093 01-22-2019 17:47 SI/SIfig7_methanol_NPT_compRDFs.agr 101978 01-22-2019 17:47 SI/SIfig7_methanol_NPT_compRDFs.png 341276 01-22-2019 17:47 SI/SIfig9_NVT_compRDFs.agr 104826 01-22-2019 17:47 SI/SIfig9_NVT_compRDFs.png 5658 01-22-2019 17:47 SI/calc_dKdT.py 0 01-22-2019 17:47 SI/density_dists/ 5880 01-22-2019 17:47 SI/density_dists/density_dist_data.log 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.100.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.110.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.125.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.150.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.165.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.AA.175.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.100.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.110.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.125.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.150.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.165.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_ethane.CG.175.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.200.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.210.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.225.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.250.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.275.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.290.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.AA.300.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.200.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.210.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.225.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.250.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.275.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.290.dat 420 01-22-2019 17:47 SI/density_dists/density_dist_methanol.CG.300.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.100.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.110.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.125.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.150.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.165.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.AA.175.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.100.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.110.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.125.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.150.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.165.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_ethane.CG.175.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.200.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.210.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.225.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.250.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.275.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.290.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.AA.300.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.200.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.210.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.225.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.250.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.275.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.290.dat 609 01-22-2019 17:47 SI/density_dists/error_density_dist_methanol.CG.300.dat 4555 01-22-2019 17:47 SI/density_dists/gen_density_dists.sh 25373 01-22-2019 17:47 SI/ethane_NVT_K_100.0K.png 28184 01-22-2019 17:47 SI/ethane_NVT_K_125.0K.png 28063 01-22-2019 17:47 SI/ethane_NVT_K_175.0K.png 45481 01-22-2019 17:47 SI/ethane_SI_predictf.agr 52142 01-22-2019 17:47 SI/ethane_SI_predictf.png 51310 01-22-2019 17:47 SI/extrapolate_300K_rdfs.png 51246 01-22-2019 17:47 SI/extrapolate_300K_rdfs.xvg 105422 01-22-2019 17:47 SI/extrapolate_pv_eos.png 26849 01-22-2019 17:47 SI/extrapolate_pv_eos.xvg 3405 01-22-2019 17:47 SI/gen_NVT_predicted_compRDFs.bat 4408 01-22-2019 17:47 SI/gen_comp_potls.bat 4555 01-22-2019 17:47 SI/gen_density_dists.sh 2013 01-22-2019 17:47 SI/gen_ethane_NPT_compRDFs.bat 2959 01-22-2019 17:47 SI/gen_ethane_NPT_predicted_compRDFs.bat 1326 01-22-2019 17:47 SI/gen_ethane_NVT_compRDFs.bat 2792 01-22-2019 17:47 SI/gen_ethane_fig.bat 2368 01-22-2019 17:47 SI/gen_methanol_NPT_compRDFs.bat 3456 01-22-2019 17:47 SI/gen_methanol_NPT_predicted_compRDFs.bat 1636 01-22-2019 17:47 SI/gen_methanol_NVT_compRDFs.bat 3051 01-22-2019 17:47 SI/gen_methanol_fig.bat 2937 01-22-2019 17:47 SI/gen_voldist_pv_addl.bat 5192 01-22-2019 17:47 SI/gen_voldist_pv_main.bat 3535 01-22-2019 17:47 SI/gen_voldistcomp.bat 47645 01-22-2019 17:47 SI/methanol_SI_predictf.agr 62264 01-22-2019 17:47 SI/methanol_SI_predictf.png --------- ------- 4403001 108 files