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ACEsuit
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ACEHAL
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Add Fmax to viz.error_table (used in the same way as fit.fit())
#25
bernstei
closed
11 months ago
4
Excluding large forces from training / test error reports
#24
casv2
closed
11 months ago
7
Growing the basis using BIC
#23
casv2
opened
12 months ago
8
BayesianRegressionMax
#22
bernstei
closed
12 months ago
3
Add a default Fmax
#21
bernstei
closed
1 year ago
1
E and V weight per sqrt n
#20
bernstei
closed
1 year ago
1
Use BIC score to pick ARD threshold with BRM solver
#19
JPDarby
closed
12 months ago
11
GPa bugfix and correct units for pdf
#18
casv2
closed
1 year ago
2
control over agnesi p, q in default basis
#17
bernstei
opened
1 year ago
2
Add cell_fixed_shape argument to HAL and CellMC
#16
bernstei
closed
1 year ago
2
renaming
#15
casv2
closed
1 year ago
7
T tau renaming
#14
casv2
closed
1 year ago
0
Juliacall
#13
wcwitt
opened
1 year ago
25
Sporadic julia error
#12
JPDarby
closed
1 year ago
38
Final step labelled as None
#11
JPDarby
closed
1 year ago
4
Use official julia build in github CI
#10
bernstei
closed
1 year ago
0
swap_MC
#9
casv2
closed
1 year ago
21
swap MC steps
#8
casv2
closed
1 year ago
6
reference calculation on unlabelled fit configs
#7
casv2
opened
1 year ago
0
r_0, r_in estimate and julia_source functionality?
#6
casv2
closed
1 year ago
7
Add github CI auto-running of pytest
#5
bernstei
closed
1 year ago
0
Allow HAL to override certain trajectory parameters from starting_config.info dict
#4
bernstei
closed
1 year ago
9
allow configs to specify their HAL traj params
#3
bernstei
closed
1 year ago
5
ARD sklearn sigma fix, BIC ARD fix, dimer E0 fix
#2
casv2
closed
1 year ago
8
Fix to code that reconstructs full sigma from solver.sigma_ for sklearn ARD
#1
bernstei
closed
1 year ago
1