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corrections quantumc--> print_integrals

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This commit is contained in:
Karol Kowalski 2018-10-10 21:38:46 -07:00
parent 28fd8705a4
commit ad21f0d9ed
1 changed files with 8 additions and 6 deletions
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14
src/tce/tce_init.F
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@ -768,11 +768,13 @@ c
endif
!QuantumComputing
res_log=.false.
if (.not.rtdb_get(rtdb,'tce:quantum',mt_log,1,res_log)) then
if (.not.rtdb_get(rtdb,'tce:print_integrals',mt_log,1,res_log))
1 then
quantumc=.false.
else
quantumc=res_log
end if
c
if(quantumc) then
cQSCFmodel
if (hftype.eq.'UHF') then
@ -806,11 +808,11 @@ c yaml n_electrons = q_ele_a + q_ele_b
c yaml n_orbitals = q_orb
c printing infromation about quantum system
if(nodezero) then
write(6,*)'------------------------------------'
write(6,2010) q_orb
write(6,2011) q_ele_a
write(6,2012) q_ele_b
write(6,*)'------------------------------------'
write(LuOut,*)'------------------------------------'
write(LuOut,2010) q_orb
write(LuOut,2011) q_ele_a
write(LuOut,2012) q_ele_b
write(LuOut,*)'------------------------------------'
call util_flush(6)
endif
c