ICAMS python-ace issues

ICAMS / python-ace

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magnetic ace

#68 JonathanSchmidt1 opened 3 weeks ago
0
Many-body heat flux correction

#67 rfhari opened 1 month ago
1
New version on pip?

#66 pmrv opened 2 months ago
0
Empty radcoefficients list when initializing only first order terms

#65 doubleyou001 opened 3 months ago
0
Minimum GCC/G++ version?

#64 mikejwaters opened 4 months ago
0
Implementation of early stopping feature.

#63 yury-lysogorskiy closed 5 months ago
0
Run PyACECalculator on GPU.

#62 YangLight closed 5 months ago
2
Feature/zbl

#61 yury-lysogorskiy closed 6 months ago
0
YAML safe_load has been removed

#60 ale99WGiais closed 6 months ago
3
Try to continue fitting part of the potential

#59 wei0py closed 7 months ago
0
Suggestions for interfacing with RMC

#58 mikejwaters opened 9 months ago
4
[feature request] OpenMP support for LAMMPS ML-PACE

#57 bernstei opened 9 months ago
5
specifying embedding-function for PyACECalculator

#56 OliverYL closed 7 months ago
1
Feature/win build

#55 yury-lysogorskiy closed 9 months ago
0
yaml-cpp: rename YAML->YAML_PACE, cmake: yaml-cpp->yaml-cpp-pace

#54 yury-lysogorskiy closed 9 months ago
0
Large Force Errors

#53 tarbaugh closed 9 months ago
5
-

#52 tarbaugh closed 10 months ago
1
Issues when running LAMMPS with ACE

#51 YuanbinLiu closed 11 months ago
2
pace_select --memory-limit does not work properly

#50 ondracka opened 11 months ago
0
Update pace_collect

#49 yury-lysogorskiy closed 11 months ago
0
Feature/linear fit

#48 yury-lysogorskiy closed 9 months ago
0
Some questions about some parameters in input.yaml::potential

#47 zfan2016 closed 10 months ago
9
pace_select: write to POSCAR

#46 yury-lysogorskiy closed 11 months ago
0
fitting convergence slow

#45 xyttyxy opened 12 months ago
7
Update test.yml

#44 yury-lysogorskiy closed 12 months ago
0
add pace_select utility

#43 yury-lysogorskiy closed 12 months ago
0
ladder_step, cycle_step and iter_num

#42 zfan2016 closed 12 months ago
1
computing Basis functions

#41 zfan2016 closed 11 months ago
1
lost atom when runing lammps

#40 YuanbinLiu closed 1 year ago
5
continue fitting

#39 zfan2016 opened 1 year ago
6
use pace potential in pyiron

#38 jhung12 closed 1 year ago
0
number_of_functions_per_element

#37 mikejwaters opened 1 year ago
8
Extracting the ACE descriptors out of PyACE

#36 zakmachachi closed 1 year ago
2
Feature/test scripts

#35 yury-lysogorskiy closed 1 year ago
0
feature/test

#34 yury-lysogorskiy closed 1 year ago
0
Create test.yml

#33 yury-lysogorskiy closed 1 year ago
0
Feature/al

#32 yury-lysogorskiy closed 1 year ago
0
Modify to use the `.pkl.gz` extension

#31 yuzie007 opened 1 year ago
0
Modify `-DCMAKE_INSTALL_RPATH` for MacOS

#30 yuzie007 closed 1 year ago
0
Why can't the GPU be used?

#29 shidashuaige closed 1 year ago
0
fitting with GPU

#28 jhung12 closed 1 year ago
1
Windows install pyace problem

#27 jhung12 closed 1 year ago
1
Radial Regularization Documentation

#26 mikejwaters closed 1 year ago
2
How can the L-BFGS-B history be increased?

#25 mikejwaters closed 1 year ago
4
Special case for training data that would cause error during active set generation

#24 siamak-attarian closed 1 year ago
1
Segmentation fault (core dumped)

#23 leiapple closed 1 year ago
8
minor change to avoid warning from ase

#22 yury-lysogorskiy opened 1 year ago
0
ase future warning

#21 mdforti opened 1 year ago
0
Do not change global logging level

#20 pmrv opened 1 year ago
0
refactor number_of_function_per_element

#19 yury-lysogorskiy closed 1 year ago
0