LCPQ/quantum_package
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qp_convert_qmcpack_from_ezfio -> qp_convert_qmcpack_to_ezfio

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TApplencourt 2016-02-08 09:03:00 +01:00
parent 33d70af2e5
commit 5d2434e19c
2 changed files with 1 additions and 1 deletions
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0
plugins/qmcpack/qp_convert_qmcpack_from_ezfio.py → plugins/qmcpack/qp_convert_qmcpack_to_ezfio.py
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2
plugins/qmcpack/save_for_qmcpack.irp.f
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@ -15,6 +15,6 @@ program qmcpack
enddo
call ezfio_set_ao_basis_ao_coef(ao_coef)
call system('rm '//trim(ezfio_filename)//'/mo_basis/ao_md5')
call system('$QP_ROOT/src/qmcpack/qp_convert_qmcpack_from_ezfio.py '//trim(ezfio_filename))
call system('$QP_ROOT/src/qmcpack/qp_convert_qmcpack_to_ezfio.py '//trim(ezfio_filename))
end