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abacus-develop
abacus-develop PublicForked from deepmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
C++
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164 contributions in the last year
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Contribution activity
April 2025
Opened 1 pull request in 1 repository
deepmodeling/abacus-develop
1
open
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Feature: add out_mat_ds to print <phi|dphi> matrix
This contribution was made on Apr 14
Reviewed 1 pull request in 1 repository
deepmodeling/abacus-develop
1 pull request
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changing test 218
This contribution was made on Apr 3
Created an issue in deepmodeling/abacus-develop that received 1 comment
OMP parallel for cluster system with nspin=2 has error
Describe the bug opt_task_Fe4S-a.zip With MPI parallel or serial calculation: Error occured with OMP parallel: and Expected behavior Same value …
16 tasks
Opened 1 other issue in 1 repository
deepmodeling/abacus-develop
1
open
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Print derivative of overlap matrix <phi|dphi> with
get_S
modeThis contribution was made on Apr 14