issues
search
openforcefield
/
standards
A repository of the standards employed across the Open Force Field Consortium.
https://openforcefield.github.io/standards
MIT License
1
stars
3
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
SMIRNOFF: Specifying "PME" as a non-bonded method is somewhat ambiguous
#15
mattwthompson
closed
9 months ago
2
SMIRNOFF: CMAPs
#14
mattwthompson
opened
3 years ago
1
SMIRNOFF: LJPME not allowed
#11
mattwthompson
opened
3 years ago
3
SMIRNOFF: Can handlers of the same type with different functional forms co-exist?
#10
mattwthompson
opened
3 years ago
2
SMIRNOFF: Clarifying the meaning of switch_width
#9
mattwthompson
opened
3 years ago
5
SMIRNOFF: Using non-integer bond orders in interpolation
#8
mattwthompson
opened
3 years ago
2
SMIRNOFF: "No cutoff" vdW interactions not allowed
#7
mattwthompson
closed
11 months ago
3
SMIRNOFF: Cut-off electrostatics not allowed
#6
mattwthompson
opened
3 years ago
0
SMIRNOFF: Clarify that constraint distances override equilibrium bond distances
#5
mattwthompson
closed
2 years ago
1
Infrastructure: Communicating optional depdendencies
#4
mattwthompson
opened
3 years ago
2
Add deploy to GH pages action
#3
SimonBoothroyd
closed
3 years ago
0
SMIRNOFF: Unclear which section(s) are optional and/or depend on each other
#2
mattwthompson
opened
3 years ago
1
OFF-EP 0000
#1
SimonBoothroyd
closed
3 years ago
5
Should `default_idivf` in SMIRNOFF spec be "1" or "auto"?
#13
jchodera
opened
3 years ago
2
Change SMIRNOFF spec to include FF name in file contents?
#12
j-wags
closed
1 year ago
6
Changes to the GBSA spec and implementation
#47
j-wags
opened
4 years ago
1
Address open questions on SMIRNOFF format spec revamp
#48
davidlmobley
opened
5 years ago
9
Previous