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Fix call abort
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This commit is contained in:
Anthony Scemama 2023-04-07 08:03:31 +02:00
parent a2f229370b
commit dee12a7907
2 changed files with 12 additions and 9 deletions
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2
external/qp2-dependencies vendored

@ -1 +1 @@
Subproject commit 6e23ebac001acae91d1c762ca934e09a9b7d614a Subproject commit ce14f57b50511825a9fedb096749200779d3f4d4

19
src/determinants/h_apply.irp.f
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@ -70,11 +70,14 @@ subroutine resize_H_apply_buffer(new_size,iproc)
PROVIDE H_apply_buffer_allocated PROVIDE H_apply_buffer_allocated
if (N_det < 0) call abort(irp_here//': N_det < 0') ASSERT (new_size > 0)
if (N_int <= 0) call abort(irp_here//': N_int <= 0') ASSERT (iproc >= 0)
if (new_size <= 0) call abort(irp_here//': new_size <= 0') ASSERT (iproc < nproc)
if (iproc < 0) call abort(irp_here//': iproc < 0') if (N_det < 0) call abort() !irp_here//': N_det < 0')
if (iproc >= nproc) call abort(irp_here//': iproc >= nproc') if (N_int <= 0) call abort() !irp_here//': N_int <= 0')
if (new_size <= 0) call abort() !irp_here//': new_size <= 0')
if (iproc < 0) call abort() !irp_here//': iproc < 0')
if (iproc >= nproc) call abort() !irp_here//': iproc >= nproc')
allocate ( buffer_det(N_int,2,new_size), & allocate ( buffer_det(N_int,2,new_size), &
buffer_coef(new_size,N_states), & buffer_coef(new_size,N_states), &
@ -363,9 +366,9 @@ subroutine replace_wf(N_det_new, LDA, psi_coef_new, psi_det_new)
PROVIDE H_apply_buffer_allocated PROVIDE H_apply_buffer_allocated
if (N_det_new <= 0) call abort(irp_here//': N_det_new <= 0') if (N_det_new <= 0) call abort() !irp_here//': N_det_new <= 0')
if (N_int <= 0) call abort(irp_here//': N_int <= 0') if (N_int <= 0) call abort() !irp_here//': N_int <= 0')
if (LDA < N_det_new) call abort(irp_here//': LDA < N_det_new') if (LDA < N_det_new) call abort() !irp_here//': LDA < N_det_new')
do j=0,nproc-1 do j=0,nproc-1
H_apply_buffer(j)%N_det = 0 H_apply_buffer(j)%N_det = 0