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dftd4
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cpp-d4
C++ port of DFT-D4
GNU Lesser General Public License v3.0
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Bump version to 2.2.0
#38
marvinfriede
closed
1 month ago
0
Overload important functions for compatibility
#37
marvinfriede
closed
1 month ago
0
Format
#36
marvinfriede
closed
1 month ago
0
Bump version to 2.1.0
#35
marvinfriede
closed
2 months ago
0
Sanitizer build options
#34
marvinfriede
closed
2 months ago
0
refactor
#33
e-kwsm
closed
2 months ago
3
Minor fixes
#32
marvinfriede
closed
3 months ago
0
Read reference charges to matrix before using them
#31
haneug
closed
3 months ago
0
Fix Ac parameters
#30
marvinfriede
closed
8 months ago
0
Fix reference CN for Ac and Cm
#29
marvinfriede
closed
10 months ago
0
Remove unit conversion file
#28
marvinfriede
closed
10 months ago
0
Fix actinide EN values
#27
marvinfriede
closed
10 months ago
0
Fix Nobelium parameters
#26
marvinfriede
closed
11 months ago
0
Fix ghost atom handling
#25
marvinfriede
closed
11 months ago
0
Update required meson version
#24
marvinfriede
closed
11 months ago
0
Minor corrections
#23
marvinfriede
closed
11 months ago
0
Print gradient
#22
marvinfriede
closed
11 months ago
0
Actinides
#21
marvinfriede
closed
11 months ago
0
Add handling of ghost atoms
#20
marvinfriede
closed
11 months ago
0
Improve printout
#19
marvinfriede
closed
11 months ago
0
Minor cleanup
#18
marvinfriede
closed
1 year ago
0
Add `TD4Model` class
#17
marvinfriede
closed
1 year ago
0
CMake and some interface stuff
#16
conradhuebler
opened
1 year ago
0
CMake, C++ and some interface stuff
#15
conradhuebler
opened
1 year ago
1
Add CI workflow
#14
marvinfriede
closed
1 year ago
0
Minor fix
#13
marvinfriede
closed
1 year ago
0
Formatting
#12
marvinfriede
closed
1 year ago
0
Bump version to 2.0
#11
marvinfriede
closed
1 year ago
0
Major refactoring and gradient fix
#10
marvinfriede
closed
1 year ago
1
Real-space cutoffs
#9
marvinfriede
closed
1 year ago
4
Create tests for damping parameters
#8
marvinfriede
closed
1 year ago
0
Testsuite
#7
marvinfriede
closed
1 year ago
0
Bugfix and update
#6
marvinfriede
closed
1 year ago
0
Check gradient against reference implementation
#5
awvwgk
closed
1 year ago
0
Add possibility to change parameters in zeta function
#4
awvwgk
closed
2 years ago
0
Allow modification of charge scaling parameters
#3
awvwgk
closed
2 years ago
0
Thoughts on interfacing with c++
#2
RomitChakraborty
closed
4 years ago
5
Problem building with meson - cblas not found
#1
RomitChakraborty
closed
4 years ago
8