RPA based SIGMA Functionals #3695
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added 7 commits
September 25, 2024 15:20
Restore version without test files for sigma func calc
The tests for sigma functional calculation contains tests for Minimax and Clenshaw Curtis Quadrature methods.
fstein93
reviewed
Sep 25, 2024
src/rpa_util.F
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| SELECT CASE (mm_style) | ||
| CASE (wfc_mm_style_gemm) | ||
| ! waste-fully computes the full symmetrix matrix, but maybe faster than cp_fm_syrk for optimized cp_fm_gemm | ||
| !WRITE(*,*)" this is used" |
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Added a support for Sigma functionals which can be accessed as a new keyword
SIGMA_FUNCTIONALin theRI_RPA-section.