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Teoroo-CMC
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CCS
Curvature Constrained Splines
GNU General Public License v3.0
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Basic setup of LSP, linting and formatting tools
#27
trgsv
closed
7 months ago
0
fix r distance values in write_LAMMPS
#26
trgsv
closed
7 months ago
0
Linting and Formatting
#25
trgsv
closed
11 months ago
0
Possible bug in ccs_export_sktable
#24
vanderhe
closed
1 year ago
1
The steep wall is poorly resolved from the CCS data, but here's a possible suggestion for a fix.
#23
ThijsSmolders
opened
1 year ago
1
Allow for fixation of certain interactions.
#22
ThijsSmolders
opened
1 year ago
1
Allow for weighting of force fitting
#21
ThijsSmolders
opened
1 year ago
0
Forces
#20
jollactic
closed
1 year ago
0
Make CCS calculator compliant with ASE standards
#19
ThijsSmolders
opened
1 year ago
0
Bug in specifying spline arguments for Xx-ELEMENT specifications.
#18
ThijsSmolders
closed
1 year ago
1
Switch finding can be slow for many pairs
#17
ThijsSmolders
opened
1 year ago
0
Use itertools to loop over elements
#16
ThijsSmolders
opened
1 year ago
0
Adding acknowledgements and contributors
#15
ThijsSmolders
closed
1 year ago
1
Dictionary of which element pairs to fit is randomly ordered
#14
ThijsSmolders
closed
1 year ago
0
Innermost datapoint below rmin set in CCS_params.json
#13
ThijsSmolders
opened
1 year ago
0
CCS potentials with LAMMPS
#12
aksam432
closed
1 year ago
1
LAMMPS interface for CCS potential.
#11
aksam432
closed
1 year ago
0
Incompatibility with latest release of fortnet-python
#10
vanderhe
opened
1 year ago
1
Questionable files checked in
#9
vanderhe
closed
1 year ago
1
Namespace package
#8
ThijsSmolders
closed
1 year ago
0
docs: trying to add notebook to docs
#7
ThijsSmolders
closed
1 year ago
0
Merging development of ci-cd workflow in original teoroo/ccs repo
#6
ThijsSmolders
closed
1 year ago
0
Updated README.md
#5
ThijsSmolders
closed
2 years ago
0
Change code style to be in line with PEP8 format
#4
vanderhe
closed
1 year ago
4
Fetch script crashes for non-periodic systems
#3
vanderhe
closed
2 years ago
1
Update copyright year and clean up code/imports
#2
vanderhe
closed
1 year ago
8
Jolla develop
#1
jollactic
closed
2 years ago
0