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Added input of nelec, nnuc, and initialization of typenuc_arr=1.

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vijay gopal chilkuri 2021-03-08 21:47:00 +01:00
parent e4fa71430c
commit e2f1404784
2 changed files with 6 additions and 3 deletions
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3
electrons.irp.f
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@ -3,7 +3,8 @@ BEGIN_PROVIDER [ integer, nelec ]
BEGIN_DOC BEGIN_DOC
! Number of electrons ! Number of electrons
END_DOC END_DOC
nelec = 10 !nelec = 10
read(*,*)nelec
END_PROVIDER END_PROVIDER
BEGIN_PROVIDER [ integer, nelec_up ] BEGIN_PROVIDER [ integer, nelec_up ]

6
nuclei.irp.f
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@ -3,7 +3,8 @@ BEGIN_PROVIDER [ integer, nnuc ]
BEGIN_DOC BEGIN_DOC
! Number of nuclei ! Number of nuclei
END_DOC END_DOC
nnuc = 2 !nnuc = 2
read(*,*)nnuc
END_PROVIDER END_PROVIDER
@ -14,7 +15,8 @@ BEGIN_PROVIDER [ integer, typenuc ]
! Type of the nuclei ! Type of the nuclei
END_DOC END_DOC
typenuc = 1 typenuc = 1
typenuc_arr = (/1, 1/) !typenuc_arr = (/1, 1/)
typenuc_arr = 1
END_PROVIDER END_PROVIDER