Go to the source code of this file.
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module | libcp2k |
| CP2K C/C++ interface.
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integer(c_long) function | libcp2k::cp2k_active_space_get_fock_sub (f_env_id, buf, buf_len) |
| Get the active space Fock sub-matrix (as a full matrix) More...
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integer(c_long) function | libcp2k::cp2k_active_space_get_eri_nze_count (f_env_id) |
| Get the number of non-zero elements of the ERI. More...
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integer(c_long) function | libcp2k::cp2k_active_space_get_eri (f_env_id, buf_coords, buf_coords_len, buf_values, buf_values_len) |
| Get the electron repulsion integrals (as a sparse tensor) More...
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logical function | libcp2k::eri2array_func (this, i, j, k, l, val) |
| Copy the active space ERI to C buffers. More...
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