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Pull requests: daico007/surface_coatings

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Pull requests list

More side chain options for PNBDAC
#37 by daico007 was merged Mar 11, 2024
Add more terminal groups
#36 by daico007 was merged Oct 16, 2023 Loading…
Consolidate pNBDAC
#35 by daico007 was merged Sep 27, 2023 Loading…
Fix a bug in Monolayer
#34 by daico007 was merged Sep 22, 2023 Loading…
Add EtherNBDAC
#33 by daico007 was merged Sep 14, 2023 Loading…
Add new surfaces
#32 by daico007 was merged Sep 14, 2023 Loading…
Add utility and fix bug with dual_monoalyer
#31 by daico007 was merged Sep 13, 2023 Loading…
Adjustment in syntax
#30 by daico007 was merged Sep 6, 2023 Loading…
Maintenance
#29 by daico007 was merged Jul 25, 2023 Loading…
Maintenance Task
#28 by daico007 was closed Jul 21, 2023 Loading…
Add extra options for DualMonolayer class
#27 by daico007 was merged Jun 27, 2023 Loading…
Add align option for pNBDAC
#26 by daico007 was merged Jun 15, 2023 Loading…
Add dimension for SilicaInterface class
#25 by daico007 was merged Jun 13, 2023 Loading…
Add amino ethyl side chain
#24 by daico007 was merged Jun 2, 2023 Loading…
change default val of silicon surface
#23 by daico007 was merged May 26, 2023 Loading…
udpate python version in CI
#21 by daico007 was merged May 25, 2023 Loading…
Modify Setup
#20 by daico007 was merged May 25, 2023 Loading…
Update syntax
#19 by daico007 was merged Apr 25, 2023 Loading…
better set box of monolayer/solvated monolayer
#18 by daico007 was merged Apr 24, 2023 Loading…
Update the silane polymer class
#17 by daico007 was merged Oct 5, 2022 Loading…
add side_chains and terminal_groups for mNBDAC
#16 by daico007 was merged Jun 28, 2022 Loading…
corrected imports
#15 by kierannp was merged Jun 15, 2022 Loading…
1
changed to lowercase
#14 by kierannp was closed Jun 15, 2022 Loading…
Fixed import errors from uppercase directory imports
#13 by kierannp was closed Jun 15, 2022 Loading…
1
Update nbdac
#12 by daico007 was closed Jun 15, 2022 Loading…
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