Documentation for module mp2_laplace

Rountines to calculate MP2 energy with laplace approach

source: mp2_laplace.F
Loading...

public Subroutines/Functions:

...

SUBROUTINElaplace_minimax_approx(emp2, para_env, para_env_rpa, unit_nr, homo, virtual, dimen_ri, dimen_ia, eigenval, num_integ_points, num_integ_group, color_rpa_group, fm_mat_s, fm_mat_q_gemm, fm_mat_q, homo_beta, virtual_beta, dimen_ia_beta, eigenval_beta, fm_mat_s_beta, fm_mat_q_gemm_beta, fm_mat_q_beta)

...

Arguments:
REAL(dp)
:: emp2 ...
POINTER
:: para_env ...
POINTER
:: para_env_rpa ...
INTEGER
:: unit_nr ...
INTEGER
:: homo ...
INTEGER
:: virtual ...
INTEGER
:: dimen_ri ...
INTEGER
:: dimen_ia ...
REAL(dp)
:: eigenval(:) ...
INTEGER
:: num_integ_points ...
INTEGER
:: num_integ_group ...
INTEGER
:: color_rpa_group ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_s ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_q_gemm ...
TYPE(cp_fm_type),
POINTER
:: fm_mat_q ...
INTEGER,
OPTIONAL
:: homo_beta ...
INTEGER,
OPTIONAL
:: virtual_beta ...
INTEGER,
OPTIONAL
:: dimen_ia_beta ...
REAL(dp),
OPTIONAL
:: eigenval_beta(:) ...
TYPE(cp_fm_type),
OPTIONAL, POINTER
:: fm_mat_s_beta ...
TYPE(cp_fm_type),
OPTIONAL, POINTER
:: fm_mat_q_gemm_beta ...
TYPE(cp_fm_type),
OPTIONAL, POINTER
:: fm_mat_q_beta ...