Dear lammps users,
In the third paragraph of the website explanation of fix NPT, i.e. http://lammps.sandia.gov/doc/fix_nh.html , I want to find out which time integrator I am using in my Lammps Script as follows,
VARIABLES
variable fname index Rub20M50C_cvff.data
variable simname index Rub20M50C_cvff
variable inputFilename index in.rubber_statistics_NPT
variable rc equal 15.0
variable rc_cl equal 15.0
----------------Initialization----------------------
units real
boundary p p p
atom_style full
log log.${simname}.txt
--------------forcefield------------------
pair_style lj/cut/coul/long {rc} {rc_cl}
bond_style harmonic
angle_style harmonic
dihedral_style harmonic
improper_style cvff
--------------#read_data#------------------
read_data ${fname}
--------------#pair_coeff#------------------
pair_modify mix geometric
neighbor 2.0 bin
neigh_modify delay 5 check yes
--------------#boundary condition and equilibrate#------------------
---------- Run Minimization ---------------------
reset_timestep 0
fix mini_1 all box/relax iso 1.0 vmax 0.001
thermo 10
thermo_style custom step pe lx ly lz press pxx pyy pzz
min_style cg
minimize 1e-10 1e-10 5000 10000
unfix mini_1
#---------- npt equilibrate ------------------
compute mytemp_average all temp
compute my_pressure all pressure mytemp_average
thermo 500
thermo_style custom step temp pe lx ly lz press pxx pyy pzz
thermo_modify temp mytemp_average
#598
fix npt_1 all npt temp 598.0 598.0 100.0 iso 1 1 100.0 drag 0.2
I am not familiar with inner code of the Lammps, So I have to resort to the professional developers to help me determine the fix command within the cyan background belong whether to the Verlet integrator or to the rRESPA integrator. I need to describe the details in my paper. Thanks a lot in advance.
Best wishes!
D. Chai