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README
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## IMPORTANT
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If you have problems upgrading to the current version, consider re-installing everything from scratch including the OCaml compiler.
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To do this, you will have to remove the `quantum_package` directory **and** the `$HOME/.opam` directory as well.
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![QP](https://raw.githubusercontent.com/LCPQ/quantum_package/master/data/qp.png)
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![QP](https://raw.githubusercontent.com/LCPQ/quantum_package/master/data/qp.png)
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[![Build Status](https://travis-ci.org/LCPQ/quantum_package.svg?branch=master)](https://travis-ci.org/LCPQ/quantum_package)
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[![Build Status](https://travis-ci.org/LCPQ/quantum_package.svg?branch=master)](https://travis-ci.org/LCPQ/quantum_package)
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[![Gitter](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/LCPQ/quantum_package?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
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[![Gitter](https://badges.gitter.im/Join%20Chat.svg)](https://gitter.im/LCPQ/quantum_package?utm_source=badge&utm_medium=badge&utm_campaign=pr-badge&utm_content=badge)
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@ -11,7 +11,7 @@
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#
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#
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[COMMON]
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[COMMON]
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FC : gfortran -ffree-line-length-none -I .
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FC : gfortran -ffree-line-length-none -I .
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LAPACK_LIB : -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_gf_lp64.a ${MKLROOT}/lib/intel64/libmkl_gnu_thread.a ${MKLROOT}/lib/intel64/libmkl_core.a -Wl,--end-group -lgomp -lpthread -lm -ldl
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LAPACK_LIB : -lblas -llapack
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IRPF90 : irpf90
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IRPF90 : irpf90
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IRPF90_FLAGS : --ninja --align=32
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IRPF90_FLAGS : --ninja --align=32
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@ -49,7 +49,7 @@ let run ?(sym="None") ezfio_filename =
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in
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in
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let result =
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let result =
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Array.init ~f:(fun mo_i ->
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Array.init ~f:(fun mo_i ->
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(mo_i,
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(mo_i+1,
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compute_weight mo_i x_indices,
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compute_weight mo_i x_indices,
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compute_weight mo_i y_indices,
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compute_weight mo_i y_indices,
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compute_weight mo_i z_indices) ) m
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compute_weight mo_i z_indices) ) m
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