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grimme-lab
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CPCM-X
Extended conductor-like polarizable continuum solvation model
GNU Lesser General Public License v3.0
14
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Include custom lapack backend as an option
#39
susilehtola
closed
4 days ago
0
Failing CI on `macos-latest/gcc-11`
#38
marcelmbn
opened
1 month ago
0
Switch to LGPLv3
#36
MtoLStoN
closed
2 months ago
0
LGPL-3.0 Licensing?
#35
TyBalduf
closed
2 months ago
2
Configure meson.build
#34
TyBalduf
closed
2 months ago
1
Segmentation fault with GCC 10 for element dict access
#33
awvwgk
opened
3 months ago
2
Fix Cmake Lib.
#32
MtoLStoN
closed
6 months ago
0
CMake build is missing cpcm-x-config.cmake
#31
sheepforce
closed
6 months ago
2
conda recipe?
#30
corinwagen
closed
6 months ago
2
ifort 2021.11.0 -> fix & update source
#29
Albkat
closed
10 months ago
1
Adding a basic C-API.
#28
MtoLStoN
closed
12 months ago
0
Fix case sensitive solvents.
#27
MtoLStoN
closed
1 year ago
0
Add CMake Support
#26
MtoLStoN
closed
1 year ago
0
Prepare Release of CPCM-X
#25
MtoLStoN
closed
1 year ago
0
Fitting
#24
MtoLStoN
closed
2 years ago
0
Implemented the possibility to use Orca instead of TM.
#23
MtoLStoN
closed
2 years ago
0
Implemented the possibility to use Orca instead of TM.
#22
MtoLStoN
closed
2 years ago
0
Better README, allow static linking.
#21
MtoLStoN
closed
2 years ago
0
Implemented commandline driver and use of configuration file.
#20
MtoLStoN
closed
2 years ago
0
QOL Improvements and Bug Fixing.
#19
MtoLStoN
closed
2 years ago
0
Add meson build files
#18
awvwgk
closed
2 years ago
0
Main devel
#17
MtoLStoN
closed
2 years ago
0
Performance refactoring
#16
awvwgk
closed
2 years ago
0
Added correct fepsi term for ions. (x=0).
#15
MtoLStoN
closed
2 years ago
0
Turbomole Driver
#14
MtoLStoN
closed
2 years ago
0
Main devel
#13
MtoLStoN
closed
2 years ago
0
Main devel
#12
MtoLStoN
closed
3 years ago
0
Sasadev
#11
MtoLStoN
closed
3 years ago
0
Mldevel
#10
MtoLStoN
closed
3 years ago
0
Sacdevel
#9
MtoLStoN
closed
3 years ago
0
Switching to FPM
#8
MtoLStoN
closed
3 years ago
0
Fpm devel
#7
MtoLStoN
closed
3 years ago
0
Implemented a rough PR-EOS model...
#6
MtoLStoN
closed
3 years ago
0
Implemented SAC2013-dsp model. Need to add dispersion flags, only wor…
#5
MtoLStoN
closed
3 years ago
0
Implemented the COSMO-SAC 2010 model based on splitted Sigma Profiles…
#4
MtoLStoN
closed
3 years ago
0
Can now appropriately calculate and write splitted Sigma Profiles (NH…
#3
MtoLStoN
closed
3 years ago
0
Sacdevel
#2
MtoLStoN
closed
3 years ago
0
Sacdevel
#1
MtoLStoN
closed
3 years ago
0