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Searched refs:log10_pmax (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dhfx_pair_list_methods.F65 log10_pmax, log10_eps_schwarz, neighbor_cells, & argument
72 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
105 IF (pgf_max_1 + pgf_max_2 + log10_pmax < log10_eps_schwarz) CYCLE
339 log10_pmax, log10_eps_schwarz, ra, rb, nelements, & argument
348 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz, ra(3), & local
370 IF (screen1(1)*rab2 + screen1(2) + screen2(2) + log10_pmax < log10_eps_schwarz) CYCLE
376 IF (pgf_max + screen2(2) + log10_pmax < log10_eps_schwarz) THEN
H A Dhfx_derivatives.F164 log10_pmax, log_2, max_contraction_val, max_val1, max_val2, max_val2_set, & local
1229 log10_pmax = log_2 + pmax_tmp
1231 log10_pmax = 0.0_dp
1234 max_val2 = max_val2 + log10_pmax
1237 pmax_entry = EXP(log10_pmax*ln_10)
1301 log10_pmax, log10_eps_schwarz, &
1840 cart_estimate, cell, neris_tmp, log10_pmax, & argument
1872 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
1900 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, &
1904 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, &
[all …]
H A Dhfx_energy_potential.F195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local
1451 log10_pmax = pmax_entry
1452 max_val2 = max_val2 + log10_pmax
1454 pmax_entry = EXP(log10_pmax*ln_10)
1535 log10_pmax, log10_eps_schwarz, &
2258 cart_estimate, cell, neris_tmp, log10_pmax, & argument
2286 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
2308 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, &
2312 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, &
2331 … nproducts, log10_pmax, log10_eps_schwarz, neighbor_cells, cell, &
H A Dmp2_ri_libint.F454 log10_eps_schwarz, log10_pmax, max_contraction_val, pmax_atom, pmax_entry, ra(3), rb(3), & local
620 log10_pmax = pmax_entry
642 log10_pmax, log10_eps_schwarz, &
845 log10_pmax = pmax_entry
870 log10_pmax, log10_eps_schwarz, &
H A Dmp2_direct_method.F146 log10_eps_schwarz, log10_pmax, max_contraction_val, max_val1, max_val2, max_val2_set, & local
486 log10_pmax = pmax_entry
487 max_val2 = max_val2 + log10_pmax
489 pmax_entry = EXP(log10_pmax*ln_10)
521 log10_pmax, log10_eps_schwarz, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dhfx_pair_list_methods.F65 log10_pmax, log10_eps_schwarz, neighbor_cells, & argument
72 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
105 IF (pgf_max_1 + pgf_max_2 + log10_pmax < log10_eps_schwarz) CYCLE
339 log10_pmax, log10_eps_schwarz, ra, rb, nelements, & argument
348 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz, ra(3), & local
370 IF (screen1(1)*rab2 + screen1(2) + screen2(2) + log10_pmax < log10_eps_schwarz) CYCLE
376 IF (pgf_max + screen2(2) + log10_pmax < log10_eps_schwarz) THEN
H A Dhfx_derivatives.F160 log10_pmax, log_2, max_contraction_val, max_val1, max_val2, max_val2_set, & local
1221 log10_pmax = log_2 + pmax_tmp
1223 log10_pmax = 0.0_dp
1226 max_val2 = max_val2 + log10_pmax
1229 pmax_entry = EXP(log10_pmax*ln_10)
1291 log10_pmax, log10_eps_schwarz, &
1826 cart_estimate, cell, neris_tmp, log10_pmax, & argument
1858 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
1886 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, &
1890 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, &
[all …]
H A Dhfx_energy_potential.F195 eps_storage, etmp, fac, hf_fraction, ln_10, log10_eps_schwarz, log10_pmax, & local
1451 log10_pmax = pmax_entry
1452 max_val2 = max_val2 + log10_pmax
1454 pmax_entry = EXP(log10_pmax*ln_10)
1535 log10_pmax, log10_eps_schwarz, &
2258 cart_estimate, cell, neris_tmp, log10_pmax, & argument
2286 REAL(dp), INTENT(IN) :: log10_pmax, log10_eps_schwarz local
2308 pgf1, R1_pgf, log10_pmax, log10_eps_schwarz, ra, rb, &
2312 pgf2, R2_pgf, log10_pmax, log10_eps_schwarz, rc, rd, &
2331 … nproducts, log10_pmax, log10_eps_schwarz, neighbor_cells, cell, &
H A Dmp2_ri_libint.F454 log10_eps_schwarz, log10_pmax, max_contraction_val, pmax_atom, pmax_entry, ra(3), rb(3), & local
620 log10_pmax = pmax_entry
642 log10_pmax, log10_eps_schwarz, &
845 log10_pmax = pmax_entry
870 log10_pmax, log10_eps_schwarz, &
H A Dmp2_direct_method.F146 log10_eps_schwarz, log10_pmax, max_contraction_val, max_val1, max_val2, max_val2_set, & local
486 log10_pmax = pmax_entry
487 max_val2 = max_val2 + log10_pmax
489 pmax_entry = EXP(log10_pmax*ln_10)
521 log10_pmax, log10_eps_schwarz, &