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grimme-lab
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numsa
Solvent accessible surface area calculation
GNU Lesser General Public License v3.0
14
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Cannot discover installed mctc-lib
#14
awvwgk
opened
4 days ago
0
No releases
#13
susilehtola
opened
2 months ago
3
Fix Cmake.
#12
MtoLStoN
closed
9 months ago
0
CMake build is missing numsa-config.cmake
#11
sheepforce
closed
9 months ago
2
Add Cmake Support.
#10
MtoLStoN
closed
1 year ago
0
Enhancement and Bugfixing
#9
MtoLStoN
closed
1 year ago
0
Added default solvents from MNSOL
#8
MtoLStoN
closed
3 years ago
0
Fixed a Bug, that occured when reading self defined Parameter Files.
#7
MtoLStoN
closed
3 years ago
0
Correct Surface Tension Calculation
#6
MtoLStoN
closed
3 years ago
0
Correctly include surface area in angular grid weights
#5
awvwgk
closed
3 years ago
0
Fixes a bug in Nitrogen surface tensions parameters.
#4
MtoLStoN
closed
3 years ago
0
Smd dev
#3
MtoLStoN
closed
3 years ago
0
Implemented the CDS Term of the SMD
#2
MtoLStoN
closed
3 years ago
1
Add CI and update documentation
#1
awvwgk
closed
3 years ago
0