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jimlutsko
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classicalDFT
GNU General Public License v3.0
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Cedric fix
#32
ceschoon
closed
3 years ago
0
Cedric fix
#31
ceschoon
closed
3 years ago
1
Refactor: Lattice class into set of more basic classes inside Geometry/Mesh
#30
migduroli
closed
3 years ago
0
Refactor: Geometry-Lattice
#29
migduroli
closed
3 years ago
2
refact: Moved some legacy folders to `legacy_lib` and new ones to `documentation`
#28
migduroli
closed
3 years ago
0
Refactor: Potential1 class into Physics/Potentials/Intermolecular
#27
migduroli
closed
3 years ago
0
DFT Functionality: Test second derivatives for multispecies case
#26
jimlutsko
opened
4 years ago
0
Refactor: Summation class into Arithmetic
#25
migduroli
closed
4 years ago
0
Refactor: Potential1 into Physics/Potentials/Intermolecular
#24
migduroli
closed
3 years ago
1
Refactor: Summation into Numerics/Arithmetic
#23
migduroli
closed
4 years ago
1
DFT Funtionality: Import old dynamical code
#22
jimlutsko
opened
4 years ago
1
Refactor: Integrator wrapper #20
#21
migduroli
closed
4 years ago
0
Refactor: Integrator into Numerics/Integration
#20
migduroli
closed
4 years ago
2
Refactor: Boost are not listed as required libraries
#19
migduroli
closed
4 years ago
0
Refactor: ConfigParser as a wrapper of the boost::parameter_tree functionality
#18
migduroli
closed
4 years ago
0
Refactor: Options as a wrapper to extract variables from files
#17
migduroli
closed
4 years ago
1
DFT Functionality: move visit writer to method on Density object
#16
jimlutsko
closed
4 years ago
1
Refactor: Reorganise dft_lib files according to their namespace
#15
migduroli
opened
4 years ago
2
Refactor: grace wrapper
#14
migduroli
closed
4 years ago
0
Refactor: Do we need all the data files for examples?
#13
migduroli
closed
4 years ago
3
Refactor: Set up of the new folder structure, new building files and how-to docs
#12
migduroli
closed
4 years ago
0
Doc: Include information on how-to setup on Linux and OSX
#11
migduroli
closed
4 years ago
0
Refactor: Package the library as a linux pckg
#10
migduroli
opened
4 years ago
2
Refactor: New folder structure
#9
migduroli
closed
4 years ago
0
DFT Functionality: Gaussian Species
#8
jimlutsko
opened
4 years ago
0
DFT Functionality: 2nd derivatives
#7
jimlutsko
closed
4 years ago
1
Doc: Add generic build instructions for classicalDFT v2.0
#6
migduroli
closed
4 years ago
0
Refactor: Grace wrapper in dft_lib with testing coverage
#5
migduroli
closed
4 years ago
0
DFT functionality: Empirical parameters
#4
jimlutsko
closed
4 years ago
1
DFT functionality: implement boost serialization
#3
jimlutsko
closed
4 years ago
1
Doc: Create "How to become a contributor" document
#2
migduroli
closed
4 years ago
1
GTests: Include how-to set up and list it on requirements
#1
migduroli
closed
4 years ago
0