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Update for qmckl-0.5.3

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This commit is contained in:
Anthony Scemama 2023-09-27 16:02:08 +02:00
parent 6ad2dd668f
commit 8806aee2bd
1 changed files with 1 additions and 2 deletions
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src/non_h_ints_mu/qmckl.irp.f
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@ -6,11 +6,10 @@ BEGIN_PROVIDER [ integer*8, qmckl_ctx_jastrow ]
! Context for the QMCKL library ! Context for the QMCKL library
END_DOC END_DOC
integer(qmckl_exit_code) :: rc integer(qmckl_exit_code) :: rc
logical(c_bool) :: c_true = .True.
qmckl_ctx_jastrow = qmckl_context_create() qmckl_ctx_jastrow = qmckl_context_create()
rc = qmckl_set_jastrow_champ_spin_independent(qmckl_ctx_jastrow, c_true) rc = qmckl_set_jastrow_champ_spin_independent(qmckl_ctx_jastrow, 1)
rc = qmckl_check(qmckl_ctx_jastrow, rc) rc = qmckl_check(qmckl_ctx_jastrow, rc)
if (rc /= QMCKL_SUCCESS) stop -1 if (rc /= QMCKL_SUCCESS) stop -1