cagrikymk JAX-ReaxFF issues

cagrikymk / JAX-ReaxFF

JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields

GNU General Public License v3.0

52 stars 21 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

CUDA_ERROR_MISALIGNED_ADDRESS while running JAX-ReaxFF

#23 houdingyu closed 6 days ago
2
Problem on energy minimization

#22 houdingyu opened 1 month ago
2
force in trainset.in file

#21 sunhl4 opened 2 months ago
3
Fix for installed scipy version

#20 ohearnk closed 2 months ago
1
How to judge if the training is convergent

#19 bingsimon opened 3 months ago
2
How to get the correct range for all parameters

#18 xxlliu opened 3 months ago
2
Major Update: jax-reaxff v0.2

#17 cagrikymk closed 4 months ago
0
How to set to double precision？

#16 xxlliu closed 4 months ago
2
About validation during training

#15 ly3ym closed 4 months ago
2
About nan values in result

#14 yjyyyyyyyuuu opened 8 months ago
3
How can I get the parameters in the trainset.in and params for training?

#13 ly3ym opened 9 months ago
0
LAMMPS REAXFF parameter file

#12 Chenghao-Wu opened 9 months ago
2
missing parameter of pi bond distance in off-diagonal section

#11 dtt507 opened 10 months ago
1
about geo, params, and trainset.in

#10 nesquik91 opened 1 year ago
0
How to set up the L-BFGS-B and SLSQP methods

#9 Zyms425 opened 1 year ago
4
Merge the master

#8 cagrikymk closed 1 year ago
0
How to generate the datasets and initial force filed parameters?

#7 Eipgen opened 1 year ago
6
Example usage

#6 similt opened 1 year ago
2
clustering.py

#5 WangKehan573 opened 1 year ago
3
Why uncorrected sigma bond order is enhanced with coefficient `cutoff`?

#4 shishaochen closed 2 years ago
2
replace python install by pip install

#3 lcdumort closed 2 years ago
1
--backup cpu ignored during installation test

#2 lcdumort closed 2 years ago
1
"amas", "valf" and "vval3" relationship

#1 cagrikymk closed 4 months ago
0