mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-25 05:51:46 +02:00
Bug in pseudo
This commit is contained in:
parent
5409607372
commit
e01ac55470
2
ocaml/.gitignore
vendored
2
ocaml/.gitignore
vendored
@ -39,10 +39,10 @@ qp_run
|
|||||||
qp_set_ddci
|
qp_set_ddci
|
||||||
qp_set_mo_class
|
qp_set_mo_class
|
||||||
Input_determinants.ml
|
Input_determinants.ml
|
||||||
Input_properties.ml
|
|
||||||
Input_hartree_fock.ml
|
Input_hartree_fock.ml
|
||||||
Input_integrals_bielec.ml
|
Input_integrals_bielec.ml
|
||||||
Input_perturbation.ml
|
Input_perturbation.ml
|
||||||
|
Input_properties.ml
|
||||||
Input_pseudo.ml
|
Input_pseudo.ml
|
||||||
qp_edit.ml
|
qp_edit.ml
|
||||||
qp_edit
|
qp_edit
|
||||||
|
@ -1755,7 +1755,7 @@ double precision theta,phi,pm,factor,twopi,x,fact,sign
|
|||||||
DIMENSION PM(0:100,0:100)
|
DIMENSION PM(0:100,0:100)
|
||||||
twopi=2.d0*dacos(-1.d0)
|
twopi=2.d0*dacos(-1.d0)
|
||||||
x=dcos(theta)
|
x=dcos(theta)
|
||||||
if (iand(m,1)) then
|
if (iand(m,1) == 1) then
|
||||||
sign=-1.d0
|
sign=-1.d0
|
||||||
else
|
else
|
||||||
sign=1.d0
|
sign=1.d0
|
||||||
|
Loading…
Reference in New Issue
Block a user