Fix: no function found in parallel tests #1931
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hongriTianqi
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dyzheng
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Feb 21, 2023
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* fix bug of autotest for multi-kpoint tddft * add code to output electronic dipole moment * add code to output electronic dipole moment * move declaration of write_dipole to module_io * update ref of autotest * add warning of ocp_set * comment ionic dipole * replace count with vec.size() * fix bug of electric field of hhg type * Test: add UT for class atom_pseudo (#1919) * Refactor: rearranged files in src_parallel and deleted src_parallel directory (#1922) * Refactor: move parallel_reduce, parallel_common, parallel_global from src_parallel to module_base * Fix: delete duplicated file * Refactor: move parallel_grid from src_parallel to module_hamilt_pw/hamilt_pwdft/ * Refactor: move parallel_kpoints from src_parallel to module_cell, delete src_parallel * Fix: new UT conflicts * Fix: UT conflicts for Device_GPU * Fix: cmake * fix: bug when stru_file=../STRU (#1930) * Test: add UT for class Atom (#1923) * Test: add UT for class Atom * Update atom_spec_test.cpp * Fix: no function found in parallel tests (#1931) * Fix: no function found in paralle tests * modify test names * Test: libm code coverage (#1933) * Build: add support to libxc 6 (#1932) * Fix: a bug in atom_spec_test (#1934) * Refactor: read pseudopotentials in esolver_fp (#1926) * Refactor: read pseudopotentials in esolver_fp * fix: fix calculation get_S * fix: split setup_cell and read_pseudo --------- Co-authored-by: Tianqi Zhao <[email protected]> * fix bug of electric field in tddft * fix ref of tddft autotest * solve conflicts * update scripts to plot absorption * delete temporary changes for test * update ref of autotest --------- Co-authored-by: Tianqi Zhao <[email protected]> Co-authored-by: dyzheng <[email protected]> Co-authored-by: Qianrui <[email protected]> Co-authored-by: JieXin Liang <[email protected]> Co-authored-by: Chun Cai <[email protected]> Co-authored-by: Yu Liu <[email protected]>
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