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Merge pull request #758 from ngovind/master

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comment out debug prints
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Edoardo Aprà 2023-03-23 17:30:17 -07:00 • committed by GitHub
commit 570646a641
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1 changed files with 2 additions and 2 deletions
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src/nwdft/lr_tddft_grad/tddft_grad_compute_r.F
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@ -129,7 +129,7 @@ c
c
pname="tddft_grad_compute_r: "
iwhich = 0 ! call to tddft_nga_cont()
write(6,*) ' 0 tda ',tda
c write(6,*) ' 0 tda ',tda
c
c 1. Do the T contributions
c
@ -185,7 +185,7 @@ c fock_xc:triplet here for restricted triplet calculations to work.
c
call tddft_nga_cont(rtdb,ihdl_geom,ihdl_bfao,g_tuv,g_apbt,g_ambt,
+nao,ipol,tol2e,tda,oskel,kfac,lhashf,.false.,nroot,iwhich,lhascd)
write(6,*) ' 2 tda ',tda
c write(6,*) ' 2 tda ',tda
c Daniel (2-26-13): Reset fock_xc:triplet here for restricted triplet
c calculations to work.
if (otriplet) then