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atomic-solvers
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featom
Finite Element Solvers for Atomic Structure Calculations
https://atomic-solvers.github.io/featom/
MIT License
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Update README.md with the article link
#23
certik
closed
9 months ago
0
Coulomb benchmark
#22
certik
opened
11 months ago
3
Fastest DFT Dirac
#21
certik
opened
12 months ago
2
Cholesky decomposition for S
#20
certik
opened
1 year ago
8
Further Dirac speedup
#19
certik
opened
1 year ago
0
Faster eigensolver for the benchmark
#18
certik
opened
1 year ago
1
BENH: Perf oriented defaults
#17
HaoZeke
closed
1 year ago
0
Benchmark results
#16
certik
opened
1 year ago
8
Further refactoring
#15
certik
opened
1 year ago
0
Refactor into solve_dirac_eigenproblem()
#14
certik
closed
1 year ago
6
ENH,BLD: Add meson
#13
HaoZeke
closed
1 year ago
0
MAINT: Add makefile
#12
HaoZeke
opened
1 year ago
0
ENH: Switch to using algo665 from GaussJacobiQuad
#11
HaoZeke
opened
1 year ago
0
Tests: Make the DFT Dirac accuracy 1e-8
#10
certik
closed
1 year ago
0
ENH: Use a Golub Welsch for Gauss-Jacobi Quadrature
#9
HaoZeke
closed
1 year ago
0
MAINT: Link with openblas directly
#8
HaoZeke
opened
1 year ago
0
ENH: Add an fprettify configuration
#7
HaoZeke
opened
1 year ago
0
MAINT: Switch to using external GaussJacobiQuad
#6
HaoZeke
opened
1 year ago
0
MAINT,DOC: Cleanup and doc fix
#5
HaoZeke
closed
1 year ago
0
MAINT: Fixup and format
#4
HaoZeke
closed
1 year ago
2
CI: Don't try deployments on pull requests
#3
HaoZeke
closed
1 year ago
0
MAINT,DOC: Add provenance of gauss-jacobi
#2
HaoZeke
closed
1 year ago
0
Update the years in the license
#1
certik
closed
1 year ago
0