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submit_job_Tmean.R
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######################################################
# short time results
# g2 Tmean for scaled PS_20
source('~/Dropbox/lammps/MSD_scaled_g2_Tmean.R', echo=TRUE)
MSD_scaled_g2_Tmean(Path="~/Dropbox/lammps/",polymer="PS_20",temperatures=seq(200,520,by=20)
,molecule_atoms=645,num_mol=40,atom_type=1:6,atom_type_mass=c(12.011,1.0079,12.011,12.011,12.011,1.0079)
,core_num=4)
# Done
####################
# g1 T mean for unscaled PMMA_big
source('~/Dropbox/lammps/MSD_unscaled_g1_Tmean.R', echo=TRUE)
MSD_unscaled_g1_Tmean(Path="~/Dropbox/lammps/",polymer="PMMA_big",temperatures=seq(300,600,by=20)
,num_mol=64
,molecule_atoms=602
,molecule_monomers=40
,monomer_atoms=15
,atom_type=1:10
,atom_type_mass=c(1.0079,12.011,12.011,12.011,15.9999,15.9999,12.011,12.011,1.0079,12.011)
,core_num=4)
# g2 Tmean for unscaled PMMA_big
source('~/Dropbox/lammps/MSD_unscaled_g2_Tmean.R', echo=TRUE)
MSD_unscaled_g2_Tmean(Path="~/Dropbox/lammps/",polymer="PMMA_big",temperatures=seq(300,600,by=20)
,molecule_atoms=602,num_mol=64,atom_type=1:10
,atom_type_mass=c(1.0079,12.011,12.011,12.011,15.9999,15.9999,12.011,12.011,1.0079,12.011)
,core_num=4)
######################################################
# long time results
## PS_20_long
# g0 T mean for scaled PS_20_long
source('~/Dropbox/lammps/MSD_scaled_g0_Tmean.R',echo=TRUE)
MSD_scaled_g0_Tmean(Path="~/Dropbox/lammps/",polymer="PS_20_long",temperatures=seq(200,520,by=20), core_num = 10)
# g1 T mean for scaled PS_20_long
source('~/Dropbox/lammps/MSD_scaled_g1_Tmean.R', echo=TRUE)
MSD_scaled_g1_Tmean(Path="~/Dropbox/lammps/",polymer="PS_20_long",temperatures=seq(200,520,by=20)
,num_mol=40
,molecule_atoms=645
,molecule_monomers=40
,monomer_atoms=16
,atom_type=1:6
,atom_type_mass=c(12.011,1.0079,12.011,12.011,12.011,1.0079)
,core_num=10)
# g2 T mean for scaled PS_20_long
source('~/Dropbox/lammps/MSD_scaled_g2_Tmean.R', echo=TRUE)
MSD_scaled_g2_Tmean(Path="~/Dropbox/lammps/",polymer="PS_20_long",temperatures=seq(200,520,by=20)
,molecule_atoms=645,num_mol=40,atom_type=1:6,atom_type_mass=c(12.011,1.0079,12.011,12.011,12.011,1.0079)
,core_num=10)
####################
## PMMA_long
# g0 T mean for scaled PMMA_long
source('~/Dropbox/lammps/MSD_scaled_g0_Tmean.R',echo=TRUE)
MSD_scaled_g0_Tmean(Path="~/Dropbox/lammps/",polymer="PMMA_long",temperatures=seq(300,640,by=20), core_num = 10)
# g1 T mean for scaled PMMA_long
source('~/Dropbox/lammps/MSD_scaled_g1_Tmean.R', echo=TRUE)
MSD_scaled_g1_Tmean(Path="~/Dropbox/lammps/",polymer="PMMA_long",temperatures=seq(300,640,by=20)
,num_mol=64
,molecule_atoms=602
,molecule_monomers=40
,monomer_atoms=15
,atom_type=1:10
,atom_type_mass=c(1.0079,12.011,12.011,12.011,15.9999,15.9999,12.011,12.011,1.0079,12.011)
,core_num=10)
# g2 Tmean for unscaled PMMA_long
source('~/Dropbox/lammps/MSD_scaled_g2_Tmean.R', echo=TRUE)
MSD_scaled_g2_Tmean(Path="~/Dropbox/lammps/",polymer="PMMA_long",temperatures=seq(300,640,by=20)
,molecule_atoms=602,num_mol=64,atom_type=1:10
,atom_type_mass=c(1.0079,12.011,12.011,12.011,15.9999,15.9999,12.011,12.011,1.0079,12.011)
,core_num=10)