(git:0de0cc2)
libcp2k.F File Reference

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Modules

module  libcp2k
 CP2K C/C++ interface.
 

Functions/Subroutines

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...
 
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...
 
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...
 
logical function libcp2k::eri2array_func (this, i, j, k, l, val)
 Copy the active space ERI to C buffers. More...