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Merge pull request #357 from ZhouGD2000/reconstruction
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Fix a bug and format the code about DFT+U
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dyzheng committed Sep 12, 2021
2 parents 8d7575b + 4888dc9 commit 3021134
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Showing 4 changed files with 495 additions and 473 deletions.
5 changes: 0 additions & 5 deletions source/src_lcao/FORCE_STRESS.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -260,11 +260,6 @@ void Force_Stress_LCAO::getForceStress(
{
fcs(iat, i) += fefield(iat, i);
}
//DFT plus U force
if(INPUT.dft_plus_u)
{
fcs(iat, i) += force_dftu(iat, i);
}
#ifdef __DEEPKS
// mohan add 2021-08-04
if (INPUT.deepks_scf)
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