openMP update and PDOS+soc#411
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2. move cout to ofs_warning for "l>4 eggbox warning" in Numerical_Orbital_Lm::extra_uniform()
Now ABACUS can be compiled without OpenMP.
merge updates from Abacus 2.2.0 beta
add PDOS with soc
1. fix bug in ComplexMatrix::print()
merge openmp update and PDOS+soc
wenfei-li
approved these changes
Oct 27, 2021
caic99
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Oct 28, 2021
| #ifdef __OPENMP | ||
| #ifdef _OPENMP | ||
| #pragma omp parallel for schedule(static) | ||
| #endif |
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Where's the original corresponding #ifdef of this #endif? It seems that only ifdefs are added in this commit.
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linpz said that _OPENMP would be automaticly setup by openmp setup in Makefile
| GlobalV::ofs_warning << " The angular momentum larger than 4 (g orbitals) may be error about eggbox. " << std::endl; | ||
| GlobalV::ofs_warning << " Check file " << __FILE__ << " line " << __LINE__ <<std::endl; | ||
| //std::cout << " The angular momentum larger than 4 (g orbitals) may be error about eggbox. " << std::endl; | ||
| //std::cout << " Check file " << __FILE__ << " line " << __LINE__ <<std::endl; |
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I suggest removing this redundant commented code.
deleted warning of angular momentum output in warning.log
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