diff --git a/ocaml/Makefile b/ocaml/Makefile index 8e7f7987..360ab525 100644 --- a/ocaml/Makefile +++ b/ocaml/Makefile @@ -19,11 +19,15 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml)) .PHONY: executables default + default: $(ALL_TESTS) $(ALL_EXE) executables: $(MAKE) -C $(QPACKAGE_ROOT)/data executables +external_libs: + opam install cryptokit core + qpackage.odocl: $(MLIFILES) ls $(MLIFILES) | sed "s/\.mli//" > qpackage.odocl diff --git a/src/Dets/H_apply.irp.f b/src/Dets/H_apply.irp.f index 63726b1e..18dd0201 100644 --- a/src/Dets/H_apply.irp.f +++ b/src/Dets/H_apply.irp.f @@ -136,6 +136,7 @@ subroutine copy_H_apply_buffer_to_wf do j=0,nproc-1 N_det = N_det + H_apply_buffer(j)%N_det enddo + SOFT_TOUCH N_det if (psi_det_size < N_det) then psi_det_size = N_det diff --git a/src/Dets/utils.irp.f b/src/Dets/utils.irp.f index 27022965..22faee83 100644 --- a/src/Dets/utils.irp.f +++ b/src/Dets/utils.irp.f @@ -1,7 +1,7 @@ BEGIN_PROVIDER [ double precision, H_matrix_all_dets,(N_det,N_det) ] implicit none BEGIN_DOC - ! H matrix on the basis of the slater deter;inants defined by psi_det + ! H matrix on the basis of the slater determinants defined by psi_det END_DOC integer :: i,j double precision :: hij