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daico007
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surface_coatings
mBuild recipe to create different surface coating structure.
MIT License
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2
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More side chain options for PNBDAC
#37
daico007
closed
7 months ago
0
Add more terminal groups
#36
daico007
closed
1 year ago
0
Consolidate pNBDAC
#35
daico007
closed
1 year ago
0
Fix a bug in Monolayer
#34
daico007
closed
1 year ago
0
Add EtherNBDAC
#33
daico007
closed
1 year ago
0
Add new surfaces
#32
daico007
closed
1 year ago
0
Add utility and fix bug with dual_monoalyer
#31
daico007
closed
1 year ago
0
Adjustment in syntax
#30
daico007
closed
1 year ago
0
Maintenance
#29
daico007
closed
1 year ago
0
Maintenance Task
#28
daico007
closed
1 year ago
0
Add extra options for DualMonolayer class
#27
daico007
closed
1 year ago
0
Add align option for pNBDAC
#26
daico007
closed
1 year ago
0
Add dimension for SilicaInterface class
#25
daico007
closed
1 year ago
0
Add amino ethyl side chain
#24
daico007
closed
1 year ago
0
change default val of silicon surface
#23
daico007
closed
1 year ago
0
Upgrade maintenance
#22
daico007
closed
1 year ago
1
udpate python version in CI
#21
daico007
closed
1 year ago
0
Modify Setup
#20
daico007
closed
1 year ago
0
Update syntax
#19
daico007
closed
1 year ago
0
better set box of monolayer/solvated monolayer
#18
daico007
closed
1 year ago
0
Update the silane polymer class
#17
daico007
closed
2 years ago
0
add side_chains and terminal_groups for mNBDAC
#16
daico007
closed
2 years ago
0
corrected imports
#15
kierannp
closed
2 years ago
0
changed to lowercase
#14
kierannp
closed
2 years ago
0
Fixed import errors from uppercase directory imports
#13
kierannp
closed
2 years ago
1
Update nbdac
#12
daico007
closed
2 years ago
0
Add pNBDAC
#11
daico007
closed
2 years ago
0
remove wrong silane initiator, using mbuild silane
#10
daico007
closed
2 years ago
0
Add pmpc chains
#9
daico007
closed
2 years ago
0
add shift options when building dual surface
#8
daico007
closed
2 years ago
0
Generate bonds with freud
#7
daico007
closed
2 years ago
0
<< coating/functionalizing nanotube >>
#6
icamps
closed
1 year ago
2
Create a surface with multiple different chains
#5
CalCraven
closed
3 years ago
0
Add new silica surface
#4
daico007
closed
3 years ago
1
Add github action for testing
#3
daico007
closed
2 years ago
0
Add basic method to set up Monolayer and Solvated Monolayer
#2
daico007
closed
3 years ago
0
Setting up methods to create chains and surfaces
#1
daico007
closed
3 years ago
0