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softmaterialslab
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nanoconfinement-md
This code allows users to simulate ions confined between material surfaces that are nanometers apart, and extract the associated ionic structure.
Apache License 2.0
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Bump rubyzip from 1.2.1 to 2.0.0
#140
dependabot[bot]
closed
4 years ago
0
salt concentration base on negative ions
#139
nasimanousheh
closed
4 years ago
3
Bump nokogiri from 1.8.1 to 1.10.5
#138
dependabot[bot]
closed
4 years ago
0
Crystal pack
#137
nasimanousheh
closed
4 years ago
1
Failing to put ions in confinement
#136
kadupitiya
opened
4 years ago
0
increase the speed for nochaged surface
#135
nasimanousheh
closed
4 years ago
1
change factor 4 to 16
#134
nasimanousheh
closed
4 years ago
1
separate template for uncharged lammps to increase the speed
#133
nasimanousheh
closed
4 years ago
3
add charge on vertex
#132
nasimanousheh
closed
4 years ago
0
opm issue
#131
nasimanousheh
closed
4 years ago
1
Factor 4 to 16
#130
nasimanousheh
closed
4 years ago
0
charge on the surface
#129
nasimanousheh
closed
4 years ago
1
Update example file
#128
nasimanousheh
closed
4 years ago
0
Change the size factor for dummy walls
#127
nasimanousheh
closed
4 years ago
0
Symmetrical bin discretization
#126
nasimanousheh
closed
4 years ago
0
Lammps variables updated
#125
nasimanousheh
closed
4 years ago
0
Update lammps
#124
nasimanousheh
closed
4 years ago
0
uncharged surface ( with in-house and lammps) and charged surface (with lammps)
#123
nasimanousheh
closed
4 years ago
0
update
#122
nasimanousheh
closed
4 years ago
0
define bigger and smaller ion salt
#121
nasimanousheh
closed
4 years ago
1
Define charge on surface in LAMMPS
#120
nasimanousheh
closed
4 years ago
1
fix ion valency
#119
nasimanousheh
closed
5 years ago
1
Simulation failed with any negative ion valency other than -1
#118
vijayakrishna23
opened
5 years ago
2
Urgent
#117
nasimanousheh
closed
5 years ago
0
Update Makefile
#116
kadupitiya
closed
5 years ago
0
Update Makefile
#115
kadupitiya
closed
5 years ago
0
Change the salt concentration definition & make negative ion dia
#114
nasimanousheh
closed
5 years ago
1
Asymmetry Changes
#113
nasimanousheh
closed
5 years ago
1
Notebook updated-final
#112
kadupitiya
closed
5 years ago
3
Updated Files
#111
nasimanousheh
closed
5 years ago
9
Add example file
#110
nasimanousheh
closed
5 years ago
0
run lammps local
#109
jadhao
opened
5 years ago
0
add wall energy contribution in lammps
#108
nasimanousheh
closed
5 years ago
1
Notebook updated
#107
kadupitiya
closed
5 years ago
0
Notebook updated
#106
kadupitiya
closed
5 years ago
1
energy matching with lammps + dt optimal
#105
jadhao
opened
5 years ago
0
LAMMPS script changed
#104
kadupitiya
closed
5 years ago
0
Final update for new app update
#103
kadupitiya
closed
5 years ago
0
Minor print statement adjustments
#102
kadupitiya
closed
5 years ago
1
ported lammps/pre and post
#101
kadupitiya
closed
5 years ago
2
-J true for density from lammps
#100
nasimanousheh
closed
5 years ago
4
preprocessing set up for lammps
#99
nasimanousheh
closed
5 years ago
0
change the bin width
#98
nasimanousheh
closed
5 years ago
0
finalizing mesh walls and lammps
#97
jadhao
opened
5 years ago
3
LAMMPS Input
#96
nasimanousheh
closed
5 years ago
0
Dummy Back
#95
nasimanousheh
closed
5 years ago
1
Contact density bins added
#94
kadupitiya
closed
5 years ago
5
Change the Location of Walls
#93
nasimanousheh
closed
5 years ago
2
Change the Location of Walls
#92
nasimanousheh
closed
5 years ago
0
Remove Dummy Wall
#91
nasimanousheh
closed
5 years ago
1
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