Searched refs:nat_batch (Results 1 – 1 of 1) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xas_tdp_atom.F | 862 INTEGER :: bo(2), exat, handle, iat, ibatch, iex, inb, ispin, jnb, katom, mepos, nat_batch, & local
979 nat_batch = bo(2) - bo(1) + 1
980 ALLOCATE (batch_atoms(nat_batch))
985 CALL reallocate(batch_atoms, 1, nat_batch + 1)
986 batch_atoms(nat_batch + 1) = xas_atom_env%exat_neighbors(iex)%array(inb)
987 nat_batch = nat_batch + 1
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