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18 Open 39 Closed
18 Open 39 Closed
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Issues list

Using SIESTA to Calculate Overlap Matrices for Predicting New Structures
#86 opened Jan 14, 2025 by Chemyy0918
2
slow sparse matrix calculations
#85 opened Jan 10, 2025 by StudenT115
Questions about orbital.
#84 opened Jan 2, 2025 by dongsh0320
6
questions about the graphene dataset
#83 opened Dec 24, 2024 by Dengsongquanch
1
propagate() got an unexpected keyword argument 'distance'
#82 opened Nov 8, 2024 by Dengsongquanch
4
error: cuda out of memory. when training a YIG model
#79 opened Sep 8, 2024 by Lonya0
1
ArrayMemoryError: Unable to allocate 6.03 TiB for an array with shape (910224, 910224) and data type float64
#77 opened Jul 8, 2024 by sgyang345
requirement for training on GPU
#75 opened Jun 11, 2024 by thedemogorgeous
Interfacing with Abacus: assert "atom" in f.readline()
#72 opened May 12, 2024 by Ed4everU
when is the code of the deepH-2 coming out
#70 opened May 6, 2024 by xiaowangfeng
2
how to plot the result of the dft
#69 opened Apr 20, 2024 by xiaowangfeng
why i trained 100 data ,the train loss is 0
#68 opened Apr 9, 2024 by xiaowangfeng
I get a problem with loss=0 in 3_train progess
#67 opened Apr 9, 2024 by poetry236428
3
how to get fermi energy
#66 opened Apr 5, 2024 by zhanghongfei12
1
I have a problem when i inference hamiton
#65 opened Apr 1, 2024 by zhanghongfei12
9
how much time do we need in 1_DFT_calculation
#64 opened Mar 29, 2024 by xiaowangfeng
1
failure when i run the process
#63 opened Mar 27, 2024 by xiaowangfeng
5
Merge DeepH-E3 and xDeepH into the current repository enhancement New feature or request
#33 opened Mar 18, 2023 by mzjb
ProTip! What’s not been updated in a month: updated:<2024-12-19.