we have new doc repository, so rename the old one before delete it

NingZhang1 · Oct 13, 2019 · 4767662 · 4767662
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diff --git a/doc/Makefile → doc_legacy/Makefile b/doc/Makefile → doc_legacy/Makefile
diff --git a/doc/logo/logo-32x32.png → doc_legacy/logo/logo-32x32.png b/doc/logo/logo-32x32.png → doc_legacy/logo/logo-32x32.png
diff --git a/doc/logo/logo-64x64.png → doc_legacy/logo/logo-64x64.png b/doc/logo/logo-64x64.png → doc_legacy/logo/logo-64x64.png
diff --git a/doc/logo/pyscf-logo-inkscape.svg → doc_legacy/logo/pyscf-logo-inkscape.svg b/doc/logo/pyscf-logo-inkscape.svg → doc_legacy/logo/pyscf-logo-inkscape.svg
diff --git a/doc/logo/pyscf-logo.png → doc_legacy/logo/pyscf-logo.png b/doc/logo/pyscf-logo.png → doc_legacy/logo/pyscf-logo.png
diff --git a/doc/source/advanced.rst → doc_legacy/source/advanced.rst b/doc/source/advanced.rst → doc_legacy/source/advanced.rst
diff --git a/doc/source/ao2mo.rst → doc_legacy/source/ao2mo.rst b/doc/source/ao2mo.rst → doc_legacy/source/ao2mo.rst
diff --git a/doc/source/benchmark.rst → doc_legacy/source/benchmark.rst b/doc/source/benchmark.rst → doc_legacy/source/benchmark.rst
diff --git a/doc/source/cc.rst → doc_legacy/source/cc.rst b/doc/source/cc.rst → doc_legacy/source/cc.rst
diff --git a/doc/source/ci.rst → doc_legacy/source/ci.rst b/doc/source/ci.rst → doc_legacy/source/ci.rst
diff --git a/doc/source/code-rule.rst → doc_legacy/source/code-rule.rst b/doc/source/code-rule.rst → doc_legacy/source/code-rule.rst
diff --git a/doc/source/conf.py → doc_legacy/source/conf.py b/doc/source/conf.py → doc_legacy/source/conf.py
diff --git a/doc/source/df.rst → doc_legacy/source/df.rst b/doc/source/df.rst → doc_legacy/source/df.rst
diff --git a/doc/source/dft.rst → doc_legacy/source/dft.rst b/doc/source/dft.rst → doc_legacy/source/dft.rst
diff --git a/doc/source/dmrgscf.rst → doc_legacy/source/dmrgscf.rst b/doc/source/dmrgscf.rst → doc_legacy/source/dmrgscf.rst
diff --git a/doc/source/fci.rst → doc_legacy/source/fci.rst b/doc/source/fci.rst → doc_legacy/source/fci.rst
diff --git a/doc/source/fciqmcscf.rst → doc_legacy/source/fciqmcscf.rst b/doc/source/fciqmcscf.rst → doc_legacy/source/fciqmcscf.rst
diff --git a/doc/source/features.txt → doc_legacy/source/features.txt b/doc/source/features.txt → doc_legacy/source/features.txt
diff --git a/doc/source/grad.rst → doc_legacy/source/grad.rst b/doc/source/grad.rst → doc_legacy/source/grad.rst
diff --git a/doc/source/gto.rst → doc_legacy/source/gto.rst b/doc/source/gto.rst → doc_legacy/source/gto.rst
diff --git a/doc/source/hessian.rst → doc_legacy/source/hessian.rst b/doc/source/hessian.rst → doc_legacy/source/hessian.rst
diff --git a/doc/source/index.rst → doc_legacy/source/index.rst b/doc/source/index.rst → doc_legacy/source/index.rst
diff --git a/doc/source/install.rst → doc_legacy/source/install.rst b/doc/source/install.rst → doc_legacy/source/install.rst
diff --git a/doc/source/lib.rst → doc_legacy/source/lib.rst b/doc/source/lib.rst → doc_legacy/source/lib.rst
diff --git a/doc/source/lo.rst → doc_legacy/source/lo.rst b/doc/source/lo.rst → doc_legacy/source/lo.rst
diff --git a/doc/source/mcscf.rst → doc_legacy/source/mcscf.rst b/doc/source/mcscf.rst → doc_legacy/source/mcscf.rst
diff --git a/doc/source/mrpt.rst → doc_legacy/source/mrpt.rst b/doc/source/mrpt.rst → doc_legacy/source/mrpt.rst
diff --git a/doc/source/nao.rst → doc_legacy/source/nao.rst b/doc/source/nao.rst → doc_legacy/source/nao.rst
diff --git a/doc/source/nao/comp_spatial_dens.rst → doc_legacy/source/nao/comp_spatial_dens.rst b/doc/source/nao/comp_spatial_dens.rst → doc_legacy/source/nao/comp_spatial_dens.rst
diff --git a/doc/source/nao/examples.rst → doc_legacy/source/nao/examples.rst b/doc/source/nao/examples.rst → doc_legacy/source/nao/examples.rst
diff --git a/doc/source/nao/examples/C60_org.fdf → doc_legacy/source/nao/examples/C60_org.fdf b/doc/source/nao/examples/C60_org.fdf → doc_legacy/source/nao/examples/C60_org.fdf
diff --git a/doc/source/nao/examples/ase.rst → doc_legacy/source/nao/examples/ase.rst b/doc/source/nao/examples/ase.rst → doc_legacy/source/nao/examples/ase.rst
diff --git a/...ource/nao/examples/calc_polarizability.py → ...ource/nao/examples/calc_polarizability.py b/...ource/nao/examples/calc_polarizability.py → ...ource/nao/examples/calc_polarizability.py
diff --git a/doc/source/nao/examples/create_qmmd.sh → ...legacy/source/nao/examples/create_qmmd.sh b/doc/source/nao/examples/create_qmmd.sh → ...legacy/source/nao/examples/create_qmmd.sh
diff --git a/doc/source/nao/examples/qmd_C60.rst → doc_legacy/source/nao/examples/qmd_C60.rst b/doc/source/nao/examples/qmd_C60.rst → doc_legacy/source/nao/examples/qmd_C60.rst
diff --git a/doc/source/nao/examples/script_pyscf_ase.py → ...y/source/nao/examples/script_pyscf_ase.py b/doc/source/nao/examples/script_pyscf_ase.py → ...y/source/nao/examples/script_pyscf_ase.py
diff --git a/...source/nao/examples/script_raman_pyscf.py → ...source/nao/examples/script_raman_pyscf.py b/...source/nao/examples/script_raman_pyscf.py → ...source/nao/examples/script_raman_pyscf.py
diff --git a/doc/source/nao/examples/siesta_C60.fdf → ...legacy/source/nao/examples/siesta_C60.fdf b/doc/source/nao/examples/siesta_C60.fdf → ...legacy/source/nao/examples/siesta_C60.fdf
diff --git a/...ource/nao/examples/siesta_C60_thermal.fdf → ...ource/nao/examples/siesta_C60_thermal.fdf b/...ource/nao/examples/siesta_C60_thermal.fdf → ...ource/nao/examples/siesta_C60_thermal.fdf
diff --git a/doc/source/nao/examples/submit_jobs.py → ...legacy/source/nao/examples/submit_jobs.py b/doc/source/nao/examples/submit_jobs.py → ...legacy/source/nao/examples/submit_jobs.py
diff --git a/doc/source/nao/examples/xyz2fdf.py → doc_legacy/source/nao/examples/xyz2fdf.py b/doc/source/nao/examples/xyz2fdf.py → doc_legacy/source/nao/examples/xyz2fdf.py
diff --git a/doc/source/nao/tddft_iter.rst → doc_legacy/source/nao/tddft_iter.rst b/doc/source/nao/tddft_iter.rst → doc_legacy/source/nao/tddft_iter.rst
diff --git a/doc/source/nao/tddft_tem.rst → doc_legacy/source/nao/tddft_tem.rst b/doc/source/nao/tddft_tem.rst → doc_legacy/source/nao/tddft_tem.rst
diff --git a/doc/source/overview.rst → doc_legacy/source/overview.rst b/doc/source/overview.rst → doc_legacy/source/overview.rst
diff --git a/doc/source/pbc.rst → doc_legacy/source/pbc.rst b/doc/source/pbc.rst → doc_legacy/source/pbc.rst
diff --git a/doc/source/pbc/cc.rst → doc_legacy/source/pbc/cc.rst b/doc/source/pbc/cc.rst → doc_legacy/source/pbc/cc.rst
diff --git a/doc/source/pbc/df.rst → doc_legacy/source/pbc/df.rst b/doc/source/pbc/df.rst → doc_legacy/source/pbc/df.rst
diff --git a/doc/source/pbc/dft.rst → doc_legacy/source/pbc/dft.rst b/doc/source/pbc/dft.rst → doc_legacy/source/pbc/dft.rst
diff --git a/doc/source/pbc/gto.rst → doc_legacy/source/pbc/gto.rst b/doc/source/pbc/gto.rst → doc_legacy/source/pbc/gto.rst
diff --git a/doc/source/pbc/mix_mol.rst → doc_legacy/source/pbc/mix_mol.rst b/doc/source/pbc/mix_mol.rst → doc_legacy/source/pbc/mix_mol.rst
diff --git a/doc/source/pbc/scf.rst → doc_legacy/source/pbc/scf.rst b/doc/source/pbc/scf.rst → doc_legacy/source/pbc/scf.rst
diff --git a/doc/source/pbc/tools.rst → doc_legacy/source/pbc/tools.rst b/doc/source/pbc/tools.rst → doc_legacy/source/pbc/tools.rst
diff --git a/doc/source/qmmm.rst → doc_legacy/source/qmmm.rst b/doc/source/qmmm.rst → doc_legacy/source/qmmm.rst
diff --git a/doc/source/scf.rst → doc_legacy/source/scf.rst b/doc/source/scf.rst → doc_legacy/source/scf.rst
diff --git a/doc/source/symm.rst → doc_legacy/source/symm.rst b/doc/source/symm.rst → doc_legacy/source/symm.rst
diff --git a/doc/source/tddft.rst → doc_legacy/source/tddft.rst b/doc/source/tddft.rst → doc_legacy/source/tddft.rst
diff --git a/doc/source/tools.rst → doc_legacy/source/tools.rst b/doc/source/tools.rst → doc_legacy/source/tools.rst
diff --git a/doc/source/tutorial.rst → doc_legacy/source/tutorial.rst b/doc/source/tutorial.rst → doc_legacy/source/tutorial.rst
diff --git a/doc/source/version.rst → doc_legacy/source/version.rst b/doc/source/version.rst → doc_legacy/source/version.rst
diff --git a/doc/whatsnew/1.2.rst → doc_legacy/whatsnew/1.2.rst b/doc/whatsnew/1.2.rst → doc_legacy/whatsnew/1.2.rst
diff --git a/doc/whatsnew/1.3.rst → doc_legacy/whatsnew/1.3.rst b/doc/whatsnew/1.3.rst → doc_legacy/whatsnew/1.3.rst
diff --git a/doc/whatsnew/1.4.rst → doc_legacy/whatsnew/1.4.rst b/doc/whatsnew/1.4.rst → doc_legacy/whatsnew/1.4.rst
diff --git a/doc/whatsnew/1.5.rst → doc_legacy/whatsnew/1.5.rst b/doc/whatsnew/1.5.rst → doc_legacy/whatsnew/1.5.rst
diff --git a/doc/whatsnew/1.6.rst → doc_legacy/whatsnew/1.6.rst b/doc/whatsnew/1.6.rst → doc_legacy/whatsnew/1.6.rst
diff --git a/examples/grad/16-scan_force.py b/examples/grad/16-scan_force.py
@@ -24,7 +24,7 @@
     energy.append(e_tot)
     force.append(grad[0,2])
 
-plt.plot(bond, e_hf[::-1])
+plt.plot(bond, energy[::-1])
 plt.show()
 
 plt.plot(bond, force[::-1])