move cel_nelec to charge.cpp #120
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dyzheng
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Apr 6, 2022
…120) * fix : when input structure doesn't have most symmetry rotation matrix, ABACUS will print which structure is better and then using the input structure for calculating. * perf : add warning output for symmetry searching part; modified tests/integral/207_NO_DP_OD/result.ref to correct version. * fix : UT for diago_cg.cpp and diago_david.cpp should not depend on __CUDA and __ROCM * fix : support both element magnetization and atomic magnetization for initial * add 304_NO_GO_AF_atommag case for testing initial atomic magnetization Co-authored-by: Chun Cai <amoycaic@gmail.com>
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