ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

refactoring of global and local hyper, including amended doc pages

Browse Source
This commit is contained in:
Steve Plimpton
2019-03-01 18:47:34 -07:00
parent eea30c5b76
commit f0ec2e3279
14 changed files with 868 additions and 634 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
examples/hyper/in.hyper.global
View File

@ -12,6 +12,8 @@ variable cutevent index 1.1
variable steps index 100000
variable nevent index 1000
variable zoom index 1.8
variable seed index 826626413
variable tol index 1.0e-15
units metal
atom_style atomic
@ -45,7 +47,7 @@ neighbor 0.5 bin
neigh_modify every 1 delay 5 check yes
fix 1 mobile nve
fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 858872873 zero yes
fix 2 mobile langevin ${Tequil} ${Tequil} 1.0 ${seed} zero yes
timestep 0.005
@ -92,4 +94,4 @@ dump_modify 1 pad 6 amap 1 3 sa 1 3 blue red green
# run
hyper ${steps} ${nevent} HG event min 1.0e-6 1.0e-6 100 100 dump 1
hyper ${steps} ${nevent} HG event min ${tol} ${tol} 1000 1000 dump 1