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[Feature] Add current dependent potential for TD-OFDFT #6593

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Merged
merged 30 commits into from
Oct 13, 2025
Merged

[Feature] Add current dependent potential for TD-OFDFT #6593

merged 30 commits into from
Oct 13, 2025
+350 −6

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@lyb9812
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@lyb9812 lyb9812 commented Oct 12, 2025

  1. Add current dependent potential for TD-OFDFT
  2. Add parameter for TD-OFDFT and update document
  3. Add integration tests for TD-OFDFT

lyb9812 and others added 23 commits September 26, 2025 18:06
@lyb9812
add esolver_of_tddft
ccb8a5d
@lyb9812
esolver_of_tddft cmakelist
96dd8cc
@lyb9812
move memeber function of esolver_of_tddft to module_ofdft
c87639c
@lyb9812
fix bug (confuse evolve_psi with evolve_phi)
d311eb3
@lyb9812
change evolve_phi with evolve_ofdft; change to vector
262c4e5
@lyb9812
Merge branch 'develop' into develop
020cd9d
@lyb9812
Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop
c577829 
 into develop
@lyb9812
Merge branch 'develop' of https://github.com/lyb9812/abacus-develop i…
70a0204 
…nto develop
@sunliang98
Merge branch 'develop' into develop
e65e75b
@lyb9812
Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop
5acb224 
 into develop
@lyb9812
details
d38224d
@lyb9812
Merge branch 'develop' of https://github.com/lyb9812/abacus-develop i…
a252d05 
…nto develop
@lyb9812
code optimization
cde47d3
@lyb9812
Merge branch 'develop' of https://github.com/deepmodeling/abacus-develop
ea55c5c 
 into develop
@lyb9812
add situation of reading charge file for tdofdft
a35a7ae
@lyb9812
add CD Potential
ef29159
@lyb9812
add INPUT parameters for tdofdft
2eeb5e9
@lyb9812
add integrate test for TDOFDFT
37d3bf5
@lyb9812
update doc file for tdofdft
d8dead8
@lyb9812
solve conflicts
5bad0d0
@lyb9812
solve conflict
51644c2
@lyb9812
type transformation
22b88fc
@lyb9812
type transformation
a917e0b
@lyb9812 lyb9812 requested a review from mohanchen October 12, 2025 01:54
mohanchen
mohanchen reviewed Oct 12, 2025
View reviewed changes
@mohanchen mohanchen added the Features Needed The features are indeed needed, and developers should have sophisticated knowledge label Oct 12, 2025
mohanchen
mohanchen reviewed Oct 13, 2025
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@mohanchen mohanchen merged commit 4c72902 into deepmodeling:develop Oct 13, 2025
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@lyb9812 @mohanchen @sunliang98