From 316bc009c1847db310dbad497715ec1825e96148 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Tue, 7 Apr 2020 12:25:00 +0200 Subject: [PATCH] renaming done for dft --- src/basis_correction/NEED | 2 +- src/dft_one_e/NEED | 6 ++++++ src/dft_utils_func/NEED | 6 ------ src/{ecmd_utils => dft_utils_func}/ecmd_lda.irp.f | 0 src/{ecmd_utils => dft_utils_func}/ecmd_pbe_general.irp.f | 0 src/{ecmd_utils => dft_utils_func}/ecmd_pbe_on_top.irp.f | 0 src/{ecmd_utils => dft_utils_func}/ecmd_pbe_ueg.irp.f | 0 src/ecmd_utils/NEED | 1 - src/ecmd_utils/README.rst | 4 ---- 9 files changed, 7 insertions(+), 12 deletions(-) rename src/{ecmd_utils => dft_utils_func}/ecmd_lda.irp.f (100%) rename src/{ecmd_utils => dft_utils_func}/ecmd_pbe_general.irp.f (100%) rename src/{ecmd_utils => dft_utils_func}/ecmd_pbe_on_top.irp.f (100%) rename src/{ecmd_utils => dft_utils_func}/ecmd_pbe_ueg.irp.f (100%) delete mode 100644 src/ecmd_utils/NEED delete mode 100644 src/ecmd_utils/README.rst diff --git a/src/basis_correction/NEED b/src/basis_correction/NEED index 212e2566..990356c3 100644 --- a/src/basis_correction/NEED +++ b/src/basis_correction/NEED @@ -1,3 +1,3 @@ mu_of_r -ecmd_utils +dft_utils_func dft_one_e diff --git a/src/dft_one_e/NEED b/src/dft_one_e/NEED index 377e4ba0..3a942f28 100644 --- a/src/dft_one_e/NEED +++ b/src/dft_one_e/NEED @@ -1,2 +1,8 @@ dft_utils_func functionals +mo_one_e_ints +mo_two_e_ints +ao_one_e_ints +ao_two_e_ints +mo_two_e_erf_ints +ao_two_e_erf_ints diff --git a/src/dft_utils_func/NEED b/src/dft_utils_func/NEED index 3bebd333..7bd01bbf 100644 --- a/src/dft_utils_func/NEED +++ b/src/dft_utils_func/NEED @@ -1,8 +1,2 @@ density_for_dft dft_utils_in_r -mo_one_e_ints -mo_two_e_ints -ao_one_e_ints -ao_two_e_ints -mo_two_e_erf_ints -ao_two_e_erf_ints diff --git a/src/ecmd_utils/ecmd_lda.irp.f b/src/dft_utils_func/ecmd_lda.irp.f similarity index 100% rename from src/ecmd_utils/ecmd_lda.irp.f rename to src/dft_utils_func/ecmd_lda.irp.f diff --git a/src/ecmd_utils/ecmd_pbe_general.irp.f b/src/dft_utils_func/ecmd_pbe_general.irp.f similarity index 100% rename from src/ecmd_utils/ecmd_pbe_general.irp.f rename to src/dft_utils_func/ecmd_pbe_general.irp.f diff --git a/src/ecmd_utils/ecmd_pbe_on_top.irp.f b/src/dft_utils_func/ecmd_pbe_on_top.irp.f similarity index 100% rename from src/ecmd_utils/ecmd_pbe_on_top.irp.f rename to src/dft_utils_func/ecmd_pbe_on_top.irp.f diff --git a/src/ecmd_utils/ecmd_pbe_ueg.irp.f b/src/dft_utils_func/ecmd_pbe_ueg.irp.f similarity index 100% rename from src/ecmd_utils/ecmd_pbe_ueg.irp.f rename to src/dft_utils_func/ecmd_pbe_ueg.irp.f diff --git a/src/ecmd_utils/NEED b/src/ecmd_utils/NEED deleted file mode 100644 index 8b137891..00000000 --- a/src/ecmd_utils/NEED +++ /dev/null @@ -1 +0,0 @@ - diff --git a/src/ecmd_utils/README.rst b/src/ecmd_utils/README.rst deleted file mode 100644 index 2e36e1e1..00000000 --- a/src/ecmd_utils/README.rst +++ /dev/null @@ -1,4 +0,0 @@ -========== -ecmd_utils -========== -