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This commit is contained in:
AbdAmmar 2024-02-23 23:51:03 +01:00
parent fcde51ea00
commit 7fc4c81485
2 changed files with 8 additions and 1 deletions
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2
plugins/local/jastrow/bh_param.irp.f
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@ -239,7 +239,7 @@
print *, ' nucl = ', nucl_label(i_nucl) print *, ' nucl = ', nucl_label(i_nucl)
print *, ' ee-term = ', jBH_ee(i_nucl) print *, ' ee-term = ', jBH_ee(i_nucl)
print *, ' en-term = ', jBH_en(i_nucl) print *, ' en-term = ', jBH_en(i_nucl)
print *, 'm n o c' print *, ' m n o c'
do p = 1, jBH_size do p = 1, jBH_size
write(*,'(3(I4,2x), E15.7)') jBH_m(p,i_nucl), jBH_n(p,i_nucl), jBH_o(p,i_nucl), jBH_c(p,i_nucl) write(*,'(3(I4,2x), E15.7)') jBH_m(p,i_nucl), jBH_n(p,i_nucl), jBH_o(p,i_nucl), jBH_c(p,i_nucl)
enddo enddo

7
plugins/local/tc_scf/EZFIO.cfg
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@ -2,3 +2,10 @@
type: Threshold type: Threshold
doc: Energy bi-tc HF doc: Energy bi-tc HF
interface: ezfio interface: ezfio
[converged_tcscf]
type: logical
doc: If |true|, tc-scf has converged
interface: ezfio,provider,ocaml
default: False