LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-11-19 03:42:21 +01:00
Code Releases Activity

few modif

Browse Source
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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
plugins/local/jastrow/bh_param.irp.f
View File

@ -239,7 +239,7 @@
print *, ' nucl = ', nucl_label(i_nucl)
print *, ' ee-term = ', jBH_ee(i_nucl)
print *, ' en-term = ', jBH_en(i_nucl)
print *, 'm n o c'
print *, ' m n o c'
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)
enddo

7
plugins/local/tc_scf/EZFIO.cfg
View File

@ -2,3 +2,10 @@
type: Threshold
doc: Energy bi-tc HF
interface: ezfio
[converged_tcscf]
type: logical
doc: If |true|, tc-scf has converged
interface: ezfio,provider,ocaml
default: False