From c48654f5508148fd627168e676676e638e077c56 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Wed, 29 Jan 2020 14:17:46 -0600 Subject: [PATCH] notes --- src/utils_periodic/qp2-pbc-diff.txt | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/src/utils_periodic/qp2-pbc-diff.txt b/src/utils_periodic/qp2-pbc-diff.txt index 8e7e0bd6..70f44c7d 100644 --- a/src/utils_periodic/qp2-pbc-diff.txt +++ b/src/utils_periodic/qp2-pbc-diff.txt @@ -15,9 +15,6 @@ ao_ints [ double precision, ao_two_e_integral_schwartz,(ao_num,ao_num) ] compute_ao_integrals_jl -mo_one_e_ints - make separate providers for real/imag/complex parts for periodic - mo_basis decide how to handle real/imag/complex parts of mo_coef (maybe just need to chage save_mos?) reorder_core_orb: implement for periodic @@ -32,6 +29,10 @@ scf mo_two_e_ints not started +done: +mo_one_e_ints + make separate providers for real/imag/complex parts for periodic +