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https://github.com/LCPQ/quantum_package
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If external libs are missing (cryptokit), run 'make external_libs' in ocaml dir
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@ -19,11 +19,15 @@ ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml))
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.PHONY: executables default
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.PHONY: executables default
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default: $(ALL_TESTS) $(ALL_EXE)
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default: $(ALL_TESTS) $(ALL_EXE)
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executables:
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executables:
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$(MAKE) -C $(QPACKAGE_ROOT)/data executables
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$(MAKE) -C $(QPACKAGE_ROOT)/data executables
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external_libs:
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opam install cryptokit core
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qpackage.odocl: $(MLIFILES)
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qpackage.odocl: $(MLIFILES)
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ls $(MLIFILES) | sed "s/\.mli//" > qpackage.odocl
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ls $(MLIFILES) | sed "s/\.mli//" > qpackage.odocl
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@ -136,6 +136,7 @@ subroutine copy_H_apply_buffer_to_wf
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do j=0,nproc-1
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do j=0,nproc-1
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N_det = N_det + H_apply_buffer(j)%N_det
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N_det = N_det + H_apply_buffer(j)%N_det
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enddo
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enddo
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SOFT_TOUCH N_det
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if (psi_det_size < N_det) then
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if (psi_det_size < N_det) then
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psi_det_size = N_det
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psi_det_size = N_det
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@ -1,7 +1,7 @@
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BEGIN_PROVIDER [ double precision, H_matrix_all_dets,(N_det,N_det) ]
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BEGIN_PROVIDER [ double precision, H_matrix_all_dets,(N_det,N_det) ]
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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! H matrix on the basis of the slater deter;inants defined by psi_det
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! H matrix on the basis of the slater determinants defined by psi_det
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END_DOC
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END_DOC
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integer :: i,j
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integer :: i,j
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double precision :: hij
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double precision :: hij
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