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Complex k-points in analysis #1410

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Skeleton for using separate k-points in the analysis block from the main code/SCC loop. Currently partly implemented complex k values, but can be adjusted for real case easily.

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codecov bot commented Mar 11, 2024

Codecov Report

Attention: Patch coverage is 9.79021% with 129 lines in your changes are missing coverage. Please review.

Project coverage is 70.46%. Comparing base (e6ec93f) to head (8353f6c).

Files Patch % Lines
src/dftbp/math/eigensolver.F90 0.00% 59 Missing ⚠️
src/dftbp/dftb/sparse2dense.F90 0.00% 26 Missing ⚠️
src/dftbp/math/lapackroutines.F90 0.00% 20 Missing ⚠️
src/dftbp/dftbplus/main.F90 10.52% 17 Missing ⚠️
src/dftbp/dftbplus/initprogram.F90 37.50% 5 Missing ⚠️
src/dftbp/dftbplus/parser.F90 81.81% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1410      +/-   ##
==========================================
- Coverage   70.66%   70.46%   -0.20%     
==========================================
  Files         231      231              
  Lines       43910    44051     +141     
==========================================
+ Hits        31029    31042      +13     
- Misses      12881    13009     +128     

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