Merge branch 'develop' into 'main'
added bitmap for checking is calc initalised for atoms, fixed return to... See merge request !15
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- include/tadah/models/cutoffs.h 15 additions, 0 deletionsinclude/tadah/models/cutoffs.h
- include/tadah/models/dc_selector.h 24 additions, 24 deletionsinclude/tadah/models/dc_selector.h
- include/tadah/models/descriptors/d2/d2_all.h 4 additions, 0 deletionsinclude/tadah/models/descriptors/d2/d2_all.h
- include/tadah/models/descriptors/d2/d2_base.h 37 additions, 19 deletionsinclude/tadah/models/descriptors/d2/d2_base.h
- include/tadah/models/descriptors/d2/d2_blip.h 31 additions, 31 deletionsinclude/tadah/models/descriptors/d2/d2_blip.h
- include/tadah/models/descriptors/d2/d2_bp.h 31 additions, 28 deletionsinclude/tadah/models/descriptors/d2/d2_bp.h
- include/tadah/models/descriptors/d2/d2_dummy.h 29 additions, 27 deletionsinclude/tadah/models/descriptors/d2/d2_dummy.h
- include/tadah/models/descriptors/d2/d2_eam.h 52 additions, 50 deletionsinclude/tadah/models/descriptors/d2/d2_eam.h
- include/tadah/models/descriptors/d2/d2_join.h 146 additions, 0 deletionsinclude/tadah/models/descriptors/d2/d2_join.h
- include/tadah/models/descriptors/d2/d2_join_n.h 113 additions, 0 deletionsinclude/tadah/models/descriptors/d2/d2_join_n.h
- include/tadah/models/descriptors/d2/d2_lj.h 29 additions, 26 deletionsinclude/tadah/models/descriptors/d2/d2_lj.h
- include/tadah/models/descriptors/d2/d2_mie.h 33 additions, 30 deletionsinclude/tadah/models/descriptors/d2/d2_mie.h
- include/tadah/models/descriptors/d2/d2_mjoin.h 59 additions, 0 deletionsinclude/tadah/models/descriptors/d2/d2_mjoin.h
- include/tadah/models/descriptors/d2/d2_zbl.h 92 additions, 0 deletionsinclude/tadah/models/descriptors/d2/d2_zbl.h
- include/tadah/models/descriptors/d3/d3_base.h 31 additions, 31 deletionsinclude/tadah/models/descriptors/d3/d3_base.h
- include/tadah/models/descriptors/d3/d3_dummy.h 35 additions, 34 deletionsinclude/tadah/models/descriptors/d3/d3_dummy.h
- include/tadah/models/descriptors/d_base.h 85 additions, 43 deletionsinclude/tadah/models/descriptors/d_base.h
- include/tadah/models/descriptors/d_mjoin.h 29 additions, 0 deletionsinclude/tadah/models/descriptors/d_mjoin.h
- include/tadah/models/descriptors/dm/dm_all.h 1 addition, 0 deletionsinclude/tadah/models/descriptors/dm/dm_all.h
- include/tadah/models/descriptors/dm/dm_base.h 48 additions, 37 deletionsinclude/tadah/models/descriptors/dm/dm_base.h
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