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usnistgov
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COSMOSAC
A Benchmark Implementation of COSMO-SAC
MIT License
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E(misfit), E(hb), E(vdW) and E(Int)
#29
gandhiforbes
opened
1 year ago
7
Unable to install cCOSMO using cygwin
#28
smwaziri
closed
11 months ago
2
Installation problems
#27
bjorn94
closed
1 year ago
4
About tutorial
#26
Fxzhou0919
opened
1 year ago
10
activity coefficient accuracy
#25
s08065451
closed
11 months ago
2
Installation problem
#24
s08065451
closed
11 months ago
9
GAMESS input
#23
k95g
opened
1 year ago
16
activity coefficients for several concentrations of mixture
#22
mrk1414
closed
11 months ago
1
Update UD/sigma profiles
#21
erikmickoleit
closed
2 years ago
0
Adding new sigma profile
#20
Neverland-ss
opened
2 years ago
19
Fail to install by using setup.py
#19
CiaoHe
closed
2 years ago
5
New Sigma Files (averaging = Mullins)
#18
dinisAbranches
closed
2 years ago
5
Update to_sigma.py
#17
dinisAbranches
closed
2 years ago
0
MOPAC Support
#16
mabounassif
opened
2 years ago
2
Switching between the COSMO models
#15
Bene94
closed
2 years ago
1
What is a correct .cosmo file style
#14
GangqiangYu
opened
3 years ago
20
Calculation of activity coefficients for mixed systems containg ionic liquids
#13
GangqiangYu
opened
3 years ago
2
How to run C++ code for calculating the activity coefficients
#12
GangqiangYu
closed
2 years ago
3
cosmo3 error
#11
amkoch
closed
3 years ago
5
Issues with getting cosmo files from DMOL3
#10
drdrjacobs
opened
3 years ago
1
Add a viewer for COSMO surfaces
#9
y-kusaka
closed
3 years ago
6
Add another viewer for COSMO surfaces.
#8
y-kusaka
closed
3 years ago
1
Add parser for Gaussian09 and GAMESS
#7
y-kusaka
closed
3 years ago
3
Fix the calculation of the dispersion flag
#6
ianhbell
closed
3 years ago
0
to_sigma.py of own .cosmo files generated by Gaussian09?
#5
y-kusaka
closed
3 years ago
6
compile error in Mac OS 10.13
#4
y-kusaka
closed
3 years ago
3
Dispersion Contribution to Overall Activity Coefficient: Multi-Component Mixtures
#3
dmanheim89
opened
4 years ago
3
Upload/Add New Sigma Profiles into Existing UD Database
#2
dmanheim89
closed
4 years ago
3
update easy_COSMOSAC
#1
shiangtai
opened
4 years ago
0