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Searched refs:rr_ij (Results 1 – 3 of 3) sorted by relevance

/dports/science/libcint/libcint-5.1.0/src/
H A Dcint3c1e.c136 double rr_ij = SQUARE(envs->rirj); in CINT3c1e_loop_nopt() local
162 aiajrr = ai[ip] * aj[jp] * rr_ij; in CINT3c1e_loop_nopt()
283 double rr_ij = SQUARE(envs->rirj); in CINT3c1e_nuc_loop_nopt() local
310 aiajrr = ai[ip] * aj[jp] * rr_ij; in CINT3c1e_nuc_loop_nopt()
H A Doptimizer.h29 double rr_ij, double expcutoff);
H A Doptimizer.c339 double rr_ij, double expcutoff) in CINTset_pairdata() argument
346 double log_rr_ij = (li_ceil+lj_ceil+1) * approx_log(rr_ij+1) / 2; in CINTset_pairdata()
353 eij = rr_ij * ai[ip] * aj[jp] * aij; in CINTset_pairdata()