From c27aa097ca6c4c4028c3d08390c3fb56ff2eb06d Mon Sep 17 00:00:00 2001 From: Bill March Date: Wed, 1 Dec 2010 15:53:27 +0000 Subject: [PATCH] reorganizing HF code --- .../contrib/march/{ => hartree_fock}/fock_matrix/CMakeLists.txt | 0 .../trunk/contrib/march/{ => hartree_fock}/fock_matrix/build.py | 0 .../march/{ => hartree_fock}/fock_matrix/cfmm/CMakeLists.txt | 0 .../contrib/march/{ => hartree_fock}/fock_matrix/cfmm/build.py | 0 .../march/{ => hartree_fock}/fock_matrix/cfmm/cfmm_coulomb.cc | 0 .../march/{ => hartree_fock}/fock_matrix/cfmm/cfmm_coulomb.h | 0 .../{ => hartree_fock}/fock_matrix/cfmm/cfmm_screening_main.cc | 0 .../march/{ => hartree_fock}/fock_matrix/chem_reader/build.py | 0 .../{ => hartree_fock}/fock_matrix/chem_reader/chem_reader.cc | 0 .../{ => hartree_fock}/fock_matrix/chem_reader/chem_reader.h | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/CMakeLists.txt | 0 .../fock_matrix/fock_impl/basis_set_reader.cc | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/basis_set_reader.h | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/basis_shell.h | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/build.py | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/eri.cc | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/eri.h | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/eri_test.cc | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/integral_tensor.cc | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/integral_tensor.h | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/libint_wrappers.cc | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/libint_wrappers.h | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/oeints.cc | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/oeints.h | 0 .../{ => hartree_fock}/fock_matrix/fock_impl/shell_pair.cc | 0 .../march/{ => hartree_fock}/fock_matrix/fock_impl/shell_pair.h | 0 .../{ => hartree_fock}/fock_matrix/fock_matrix_comparison.cc | 0 .../{ => hartree_fock}/fock_matrix/fock_matrix_comparison.h | 0 .../fock_matrix/fock_matrix_comparison_main.cc | 0 .../march/{ => hartree_fock}/fock_matrix/fock_matrix_main.cc | 0 .../march/{ => hartree_fock}/fock_matrix/link/CMakeLists.txt | 0 .../contrib/march/{ => hartree_fock}/fock_matrix/link/build.py | 0 .../contrib/march/{ => hartree_fock}/fock_matrix/link/link.cc | 0 .../contrib/march/{ => hartree_fock}/fock_matrix/link/link.h | 0 .../march/{ => hartree_fock}/fock_matrix/link/link_main.cc | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/CMakeLists.txt | 0 .../fock_matrix/multi_tree/basis_shell_tree.cc | 0 .../fock_matrix/multi_tree/basis_shell_tree.h | 0 .../march/{ => hartree_fock}/fock_matrix/multi_tree/build.py | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/eri_bounds.cc | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/eri_bounds.h | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree.cc | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree.h | 0 .../fock_matrix/multi_tree/matrix_tree_impl.cc | 0 .../fock_matrix/multi_tree/matrix_tree_impl.h | 0 .../fock_matrix/multi_tree/matrix_tree_test.cc | 0 .../fock_matrix/multi_tree/multi_tree_fock.cc | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/multi_tree_fock.h | 0 .../fock_matrix/multi_tree/shell_tree_impl.cc | 0 .../{ => hartree_fock}/fock_matrix/multi_tree/shell_tree_impl.h | 0 .../fock_matrix/multi_tree/shell_tree_test.cc | 0 .../fock_matrix/multi_tree/square_fock_tree.h | 0 .../march/{ => hartree_fock}/fock_matrix/naive/CMakeLists.txt | 0 .../contrib/march/{ => hartree_fock}/fock_matrix/naive/build.py | 0 .../{ => hartree_fock}/fock_matrix/naive/naive_fock_main.cc | 0 .../{ => hartree_fock}/fock_matrix/naive/naive_fock_matrix.h | 0 .../march/{ => hartree_fock}/fock_matrix/naive_comparison.cc | 0 .../{ => hartree_fock}/fock_matrix/prescreening/CMakeLists.txt | 0 .../march/{ => hartree_fock}/fock_matrix/prescreening/build.py | 0 .../fock_matrix/prescreening/schwartz_prescreening.cc | 0 .../fock_matrix/prescreening/schwartz_prescreening.h | 0 .../fock_matrix/prescreening/schwartz_prescreening_main.cc | 0 .../trunk/contrib/march/{ => hartree_fock}/scf/CMakeLists.txt | 0 fastlib/trunk/contrib/march/{ => hartree_fock}/scf/build.py | 0 fastlib/trunk/contrib/march/{ => hartree_fock}/scf/scf_main.cc | 0 .../trunk/contrib/march/{ => hartree_fock}/scf/scf_solver.cc | 0 fastlib/trunk/contrib/march/{ => hartree_fock}/scf/scf_solver.h | 0 fastlib/trunk/contrib/march/npt/n_point_multi_main.cc | 2 ++ fastlib/trunk/contrib/march/npt/n_point_nodes.h | 2 +- fastlib/trunk/contrib/march/{hf => old_hf}/CMakeLists.txt | 0 fastlib/trunk/contrib/march/{hf => old_hf}/build.py | 0 fastlib/trunk/contrib/march/{hf => old_hf}/core_test.csv | 0 fastlib/trunk/contrib/march/{hf => old_hf}/density_test.csv | 0 .../trunk/contrib/march/{hf => old_hf}/dual_tree_integrals.cc | 0 .../trunk/contrib/march/{hf => old_hf}/dual_tree_integrals.h | 0 .../contrib/march/{hf => old_hf}/dual_tree_integrals_main.cc | 0 .../contrib/march/{hf => old_hf}/dual_tree_integrals_test.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/fock_matrix_test.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/hf.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/hf.h | 0 fastlib/trunk/contrib/march/{hf => old_hf}/hf_kernel.h | 0 fastlib/trunk/contrib/march/{hf => old_hf}/hf_test.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/kinetic_test.csv | 0 fastlib/trunk/contrib/march/{hf => old_hf}/naive_fock_matrix.h | 0 .../trunk/contrib/march/{hf => old_hf}/orthogonalizing_test.csv | 0 fastlib/trunk/contrib/march/{hf => old_hf}/overlap_test.csv | 0 fastlib/trunk/contrib/march/{hf => old_hf}/potential_test.csv | 0 fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver.h | 0 fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver_test.cc | 0 fastlib/trunk/contrib/march/{hf => old_hf}/square_tree.h | 0 fastlib/trunk/contrib/march/{hf => old_hf}/square_tree_test.cc | 0 .../trunk/contrib/march/{hf => old_hf}/two_electron_test.csv | 0 .../trunk/contrib/march/{hf => old_hf}/updated_fock_test.csv | 0 94 files changed, 3 insertions(+), 1 deletion(-) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/cfmm/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/cfmm/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/cfmm/cfmm_coulomb.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/cfmm/cfmm_coulomb.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/cfmm/cfmm_screening_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/chem_reader/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/chem_reader/chem_reader.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/chem_reader/chem_reader.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/basis_set_reader.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/basis_set_reader.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/basis_shell.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/eri.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/eri.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/eri_test.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/integral_tensor.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/integral_tensor.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/libint_wrappers.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/libint_wrappers.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/oeints.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/oeints.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/shell_pair.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_impl/shell_pair.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_matrix_comparison.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_matrix_comparison.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_matrix_comparison_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/fock_matrix_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/link/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/link/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/link/link.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/link/link.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/link/link_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/basis_shell_tree.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/basis_shell_tree.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/eri_bounds.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/eri_bounds.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree_impl.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree_impl.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/matrix_tree_test.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/multi_tree_fock.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/multi_tree_fock.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/shell_tree_impl.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/shell_tree_impl.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/shell_tree_test.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/multi_tree/square_fock_tree.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/naive/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/naive/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/naive/naive_fock_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/naive/naive_fock_matrix.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/naive_comparison.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/prescreening/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/prescreening/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/prescreening/schwartz_prescreening.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/prescreening/schwartz_prescreening.h (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/fock_matrix/prescreening/schwartz_prescreening_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/scf/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/scf/build.py (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/scf/scf_main.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/scf/scf_solver.cc (100%) rename fastlib/trunk/contrib/march/{ => hartree_fock}/scf/scf_solver.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/CMakeLists.txt (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/build.py (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/core_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/density_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/dual_tree_integrals.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/dual_tree_integrals.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/dual_tree_integrals_main.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/dual_tree_integrals_test.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/fock_matrix_test.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/hf.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/hf.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/hf_kernel.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/hf_test.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/kinetic_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/naive_fock_matrix.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/orthogonalizing_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/overlap_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/potential_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/scf_solver_test.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/square_tree.h (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/square_tree_test.cc (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/two_electron_test.csv (100%) rename fastlib/trunk/contrib/march/{hf => old_hf}/updated_fock_test.csv (100%) diff --git a/fastlib/trunk/contrib/march/fock_matrix/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/cfmm/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/cfmm/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/cfmm/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/cfmm/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_coulomb.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_coulomb.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_coulomb.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_coulomb.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_coulomb.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_coulomb.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_coulomb.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_coulomb.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_screening_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_screening_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/cfmm/cfmm_screening_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/cfmm/cfmm_screening_main.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/chem_reader/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/chem_reader/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/chem_reader/chem_reader.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/chem_reader.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/chem_reader/chem_reader.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/chem_reader.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/chem_reader/chem_reader.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/chem_reader.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/chem_reader/chem_reader.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/chem_reader/chem_reader.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_set_reader.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_set_reader.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_set_reader.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_set_reader.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_set_reader.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_set_reader.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_set_reader.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_set_reader.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_shell.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_shell.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/basis_shell.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/basis_shell.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri_test.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/eri_test.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/eri_test.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/integral_tensor.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/integral_tensor.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/integral_tensor.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/integral_tensor.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/integral_tensor.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/integral_tensor.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/integral_tensor.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/integral_tensor.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/libint_wrappers.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/libint_wrappers.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/libint_wrappers.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/libint_wrappers.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/libint_wrappers.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/libint_wrappers.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/libint_wrappers.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/libint_wrappers.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/oeints.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/oeints.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/oeints.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/oeints.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/oeints.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/oeints.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/oeints.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/oeints.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/shell_pair.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/shell_pair.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/shell_pair.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/shell_pair.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_impl/shell_pair.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/shell_pair.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_impl/shell_pair.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_impl/shell_pair.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_matrix_comparison_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_comparison_main.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/fock_matrix_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/fock_matrix_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/fock_matrix_main.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/link/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/link/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/link/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/link/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/link/link.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/link/link.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/link/link.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/link/link.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/link/link_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/link/link_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/link/link_main.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/basis_shell_tree.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/basis_shell_tree.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/basis_shell_tree.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/basis_shell_tree.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/basis_shell_tree.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/basis_shell_tree.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/basis_shell_tree.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/basis_shell_tree.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/eri_bounds.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/eri_bounds.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/eri_bounds.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/eri_bounds.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/eri_bounds.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/eri_bounds.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/eri_bounds.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/eri_bounds.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_impl.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_impl.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_impl.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_impl.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_impl.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_impl.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_impl.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_impl.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_test.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/matrix_tree_test.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/matrix_tree_test.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/multi_tree_fock.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/multi_tree_fock.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/multi_tree_fock.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/multi_tree_fock.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/multi_tree_fock.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/multi_tree_fock.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/multi_tree_fock.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/multi_tree_fock.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_impl.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_impl.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_impl.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_impl.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_impl.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_impl.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_impl.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_impl.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_test.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/shell_tree_test.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/shell_tree_test.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/multi_tree/square_fock_tree.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/square_fock_tree.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/multi_tree/square_fock_tree.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/multi_tree/square_fock_tree.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/naive/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/naive/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/naive/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/naive/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/naive/naive_fock_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/naive_fock_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/naive/naive_fock_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/naive_fock_main.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/naive/naive_fock_matrix.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/naive_fock_matrix.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/naive/naive_fock_matrix.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive/naive_fock_matrix.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/naive_comparison.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive_comparison.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/naive_comparison.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/naive_comparison.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/prescreening/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/prescreening/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/fock_matrix/prescreening/build.py b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/build.py similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/prescreening/build.py rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/build.py diff --git a/fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening.cc diff --git a/fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening.h b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening.h similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening.h rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening.h diff --git a/fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening_main.cc b/fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/fock_matrix/prescreening/schwartz_prescreening_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/fock_matrix/prescreening/schwartz_prescreening_main.cc diff --git a/fastlib/trunk/contrib/march/scf/CMakeLists.txt b/fastlib/trunk/contrib/march/hartree_fock/scf/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/scf/CMakeLists.txt rename to fastlib/trunk/contrib/march/hartree_fock/scf/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/scf/build.py b/fastlib/trunk/contrib/march/hartree_fock/scf/build.py similarity index 100% rename from fastlib/trunk/contrib/march/scf/build.py rename to fastlib/trunk/contrib/march/hartree_fock/scf/build.py diff --git a/fastlib/trunk/contrib/march/scf/scf_main.cc b/fastlib/trunk/contrib/march/hartree_fock/scf/scf_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/scf/scf_main.cc rename to fastlib/trunk/contrib/march/hartree_fock/scf/scf_main.cc diff --git a/fastlib/trunk/contrib/march/scf/scf_solver.cc b/fastlib/trunk/contrib/march/hartree_fock/scf/scf_solver.cc similarity index 100% rename from fastlib/trunk/contrib/march/scf/scf_solver.cc rename to fastlib/trunk/contrib/march/hartree_fock/scf/scf_solver.cc diff --git a/fastlib/trunk/contrib/march/scf/scf_solver.h b/fastlib/trunk/contrib/march/hartree_fock/scf/scf_solver.h similarity index 100% rename from fastlib/trunk/contrib/march/scf/scf_solver.h rename to fastlib/trunk/contrib/march/hartree_fock/scf/scf_solver.h diff --git a/fastlib/trunk/contrib/march/npt/n_point_multi_main.cc b/fastlib/trunk/contrib/march/npt/n_point_multi_main.cc index bb2cd9abfd..df639a28f7 100644 --- a/fastlib/trunk/contrib/march/npt/n_point_multi_main.cc +++ b/fastlib/trunk/contrib/march/npt/n_point_multi_main.cc @@ -24,6 +24,8 @@ int main(int argc, char* argv[]) { max_band = fx_param_double_req(NULL, "max_band"); int num_bands = fx_param_int_req(NULL, "num_bands"); + double band_width; + int n = fx_param_int_req(NULL, "n"); fx_module* mod = fx_submodule(NULL, "n_point_multi"); diff --git a/fastlib/trunk/contrib/march/npt/n_point_nodes.h b/fastlib/trunk/contrib/march/npt/n_point_nodes.h index 5fd5d2a563..26415f8526 100644 --- a/fastlib/trunk/contrib/march/npt/n_point_nodes.h +++ b/fastlib/trunk/contrib/march/npt/n_point_nodes.h @@ -56,7 +56,7 @@ typedef BinarySpaceTree, Matrix, NPointStat> NPointNode; /** - * + * */ class NodeTuple { diff --git a/fastlib/trunk/contrib/march/hf/CMakeLists.txt b/fastlib/trunk/contrib/march/old_hf/CMakeLists.txt similarity index 100% rename from fastlib/trunk/contrib/march/hf/CMakeLists.txt rename to fastlib/trunk/contrib/march/old_hf/CMakeLists.txt diff --git a/fastlib/trunk/contrib/march/hf/build.py b/fastlib/trunk/contrib/march/old_hf/build.py similarity index 100% rename from fastlib/trunk/contrib/march/hf/build.py rename to fastlib/trunk/contrib/march/old_hf/build.py diff --git a/fastlib/trunk/contrib/march/hf/core_test.csv b/fastlib/trunk/contrib/march/old_hf/core_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/core_test.csv rename to fastlib/trunk/contrib/march/old_hf/core_test.csv diff --git a/fastlib/trunk/contrib/march/hf/density_test.csv b/fastlib/trunk/contrib/march/old_hf/density_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/density_test.csv rename to fastlib/trunk/contrib/march/old_hf/density_test.csv diff --git a/fastlib/trunk/contrib/march/hf/dual_tree_integrals.cc b/fastlib/trunk/contrib/march/old_hf/dual_tree_integrals.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/dual_tree_integrals.cc rename to fastlib/trunk/contrib/march/old_hf/dual_tree_integrals.cc diff --git a/fastlib/trunk/contrib/march/hf/dual_tree_integrals.h b/fastlib/trunk/contrib/march/old_hf/dual_tree_integrals.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/dual_tree_integrals.h rename to fastlib/trunk/contrib/march/old_hf/dual_tree_integrals.h diff --git a/fastlib/trunk/contrib/march/hf/dual_tree_integrals_main.cc b/fastlib/trunk/contrib/march/old_hf/dual_tree_integrals_main.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/dual_tree_integrals_main.cc rename to fastlib/trunk/contrib/march/old_hf/dual_tree_integrals_main.cc diff --git a/fastlib/trunk/contrib/march/hf/dual_tree_integrals_test.cc b/fastlib/trunk/contrib/march/old_hf/dual_tree_integrals_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/dual_tree_integrals_test.cc rename to fastlib/trunk/contrib/march/old_hf/dual_tree_integrals_test.cc diff --git a/fastlib/trunk/contrib/march/hf/fock_matrix_test.cc b/fastlib/trunk/contrib/march/old_hf/fock_matrix_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/fock_matrix_test.cc rename to fastlib/trunk/contrib/march/old_hf/fock_matrix_test.cc diff --git a/fastlib/trunk/contrib/march/hf/hf.cc b/fastlib/trunk/contrib/march/old_hf/hf.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/hf.cc rename to fastlib/trunk/contrib/march/old_hf/hf.cc diff --git a/fastlib/trunk/contrib/march/hf/hf.h b/fastlib/trunk/contrib/march/old_hf/hf.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/hf.h rename to fastlib/trunk/contrib/march/old_hf/hf.h diff --git a/fastlib/trunk/contrib/march/hf/hf_kernel.h b/fastlib/trunk/contrib/march/old_hf/hf_kernel.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/hf_kernel.h rename to fastlib/trunk/contrib/march/old_hf/hf_kernel.h diff --git a/fastlib/trunk/contrib/march/hf/hf_test.cc b/fastlib/trunk/contrib/march/old_hf/hf_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/hf_test.cc rename to fastlib/trunk/contrib/march/old_hf/hf_test.cc diff --git a/fastlib/trunk/contrib/march/hf/kinetic_test.csv b/fastlib/trunk/contrib/march/old_hf/kinetic_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/kinetic_test.csv rename to fastlib/trunk/contrib/march/old_hf/kinetic_test.csv diff --git a/fastlib/trunk/contrib/march/hf/naive_fock_matrix.h b/fastlib/trunk/contrib/march/old_hf/naive_fock_matrix.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/naive_fock_matrix.h rename to fastlib/trunk/contrib/march/old_hf/naive_fock_matrix.h diff --git a/fastlib/trunk/contrib/march/hf/orthogonalizing_test.csv b/fastlib/trunk/contrib/march/old_hf/orthogonalizing_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/orthogonalizing_test.csv rename to fastlib/trunk/contrib/march/old_hf/orthogonalizing_test.csv diff --git a/fastlib/trunk/contrib/march/hf/overlap_test.csv b/fastlib/trunk/contrib/march/old_hf/overlap_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/overlap_test.csv rename to fastlib/trunk/contrib/march/old_hf/overlap_test.csv diff --git a/fastlib/trunk/contrib/march/hf/potential_test.csv b/fastlib/trunk/contrib/march/old_hf/potential_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/potential_test.csv rename to fastlib/trunk/contrib/march/old_hf/potential_test.csv diff --git a/fastlib/trunk/contrib/march/hf/scf_solver.cc b/fastlib/trunk/contrib/march/old_hf/scf_solver.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/scf_solver.cc rename to fastlib/trunk/contrib/march/old_hf/scf_solver.cc diff --git a/fastlib/trunk/contrib/march/hf/scf_solver.h b/fastlib/trunk/contrib/march/old_hf/scf_solver.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/scf_solver.h rename to fastlib/trunk/contrib/march/old_hf/scf_solver.h diff --git a/fastlib/trunk/contrib/march/hf/scf_solver_test.cc b/fastlib/trunk/contrib/march/old_hf/scf_solver_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/scf_solver_test.cc rename to fastlib/trunk/contrib/march/old_hf/scf_solver_test.cc diff --git a/fastlib/trunk/contrib/march/hf/square_tree.h b/fastlib/trunk/contrib/march/old_hf/square_tree.h similarity index 100% rename from fastlib/trunk/contrib/march/hf/square_tree.h rename to fastlib/trunk/contrib/march/old_hf/square_tree.h diff --git a/fastlib/trunk/contrib/march/hf/square_tree_test.cc b/fastlib/trunk/contrib/march/old_hf/square_tree_test.cc similarity index 100% rename from fastlib/trunk/contrib/march/hf/square_tree_test.cc rename to fastlib/trunk/contrib/march/old_hf/square_tree_test.cc diff --git a/fastlib/trunk/contrib/march/hf/two_electron_test.csv b/fastlib/trunk/contrib/march/old_hf/two_electron_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/two_electron_test.csv rename to fastlib/trunk/contrib/march/old_hf/two_electron_test.csv diff --git a/fastlib/trunk/contrib/march/hf/updated_fock_test.csv b/fastlib/trunk/contrib/march/old_hf/updated_fock_test.csv similarity index 100% rename from fastlib/trunk/contrib/march/hf/updated_fock_test.csv rename to fastlib/trunk/contrib/march/old_hf/updated_fock_test.csv