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Changed python into python2
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parent
c65ecce327
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7
ocaml/.gitignore
vendored
7
ocaml/.gitignore
vendored
@ -14,20 +14,15 @@ Input_davidson.ml
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Input_density_for_dft.ml
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Input_density_for_dft.ml
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Input_determinants.ml
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Input_determinants.ml
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Input_dft_keywords.ml
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Input_dft_keywords.ml
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Input_dft_mu_of_r.ml
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Input_dressing.ml
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Input_dressing.ml
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Input_ijkl_ints_in_r3.ml
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Input_mo_one_e_ints.ml
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Input_mo_one_e_ints.ml
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Input_mo_two_e_erf_ints.ml
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Input_mo_two_e_erf_ints.ml
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Input_mo_two_e_ints.ml
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Input_mo_two_e_ints.ml
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Input_mu_of_r_ints.ml
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Input_mu_of_r.ml
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Input_nuclei.ml
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Input_nuclei.ml
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Input_perturbation.ml
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Input_perturbation.ml
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Input_pseudo.ml
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Input_pseudo.ml
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Input_rsdft_ecmd.ml
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Input_scf_utils.ml
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Input_scf_utils.ml
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Input_two_body_dm.ml
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Input_variance.ml
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qp_create_ezfio
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qp_create_ezfio
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qp_create_ezfio.native
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qp_create_ezfio.native
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qp_edit
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qp_edit
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@ -4,7 +4,7 @@ BEGIN_PROVIDER [double precision, energy_x, (N_states)]
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! correlation energies general providers.
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! correlation energies general providers.
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END_DOC
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END_DOC
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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import os
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import glob
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import glob
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from qp_path import QP_SRC
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from qp_path import QP_SRC
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@ -19,8 +19,8 @@ for f in functionals:
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prefix = "else "
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prefix = "else "
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print """
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print """
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else
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else
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print*, 'exchange functional required does not exist ...'
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print *, 'exchange functional required does not exist ...'
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print*,'exchange_functional ',exchange_functional
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print *, 'exchange_functional ',exchange_functional
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stop"""
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stop"""
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print "endif"
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print "endif"
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@ -38,7 +38,7 @@ print "endif"
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! correlation and exchange energies general providers.
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! correlation and exchange energies general providers.
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END_DOC
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END_DOC
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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import os
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import glob
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import glob
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from qp_path import QP_SRC
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from qp_path import QP_SRC
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@ -5,7 +5,7 @@
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! general providers for the alpha/beta exchange potentials on the AO basis
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! general providers for the alpha/beta exchange potentials on the AO basis
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END_DOC
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END_DOC
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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import os
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import glob
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import glob
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from qp_path import QP_SRC
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from qp_path import QP_SRC
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@ -41,7 +41,7 @@ print "endif"
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! general providers for the alpha/beta correlation potentials on the AO basis
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! general providers for the alpha/beta correlation potentials on the AO basis
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END_DOC
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END_DOC
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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import os
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import glob
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import glob
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from qp_path import QP_SRC
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from qp_path import QP_SRC
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@ -200,7 +200,7 @@ print "endif"
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! general providers for the alpha/beta exchange/correlation potentials on the AO basis
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! general providers for the alpha/beta exchange/correlation potentials on the AO basis
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END_DOC
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END_DOC
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BEGIN_SHELL [ /usr/bin/env python ]
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BEGIN_SHELL [ /usr/bin/env python2 ]
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import os
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import os
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import glob
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import glob
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from qp_path import QP_SRC
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from qp_path import QP_SRC
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