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Fix: enable scf_ene_thr for EXX outer loop
EXX
Related to EXX, this label is designed only for PeizeLin and Maki49
#4993
opened Aug 23, 2024 by
maki49
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Feature: support automatic binary output of charge density
Input&Output
Suitable for coders without knowing too many DFT details
#4991
opened Aug 23, 2024 by
kirk0830
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Refactor: refactor Reduce the "entropy" of the code to 0
set_diagethr
func and remove phsol
from esolver
The Absolute Zero
#4986
opened Aug 22, 2024 by
haozhihan
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Feature: output T(k)
Input&Output
Suitable for coders without knowing too many DFT details
#4982
opened Aug 22, 2024 by
jinzx10
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1 of 4 tasks
Performance: heterogeneous operator of npw loop in force_cc.
#4978
opened Aug 19, 2024 by
grysgreat
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Feature: force and stress can be calculated with PW code
#4894
opened Aug 7, 2024 by
dyzheng
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4 tasks
Feature: Use pesudo inverse to avoid singularly values and use The features are indeed needed, and developers should have sophisticated knowledge
dsysv
to replace direct inverse in Broyden mixing
Features Needed
#4859
opened Aug 1, 2024 by
WHUweiqingzhou
•
Draft
Feature: Symmetry=1 for EXX
Features Needed
The features are indeed needed, and developers should have sophisticated knowledge
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