Home
last modified time | relevance | path

Searched refs:cartesian_estimate (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_ri_libint.F453 REAL(KIND=dp) :: cartesian_estimate, coeffs_kind_max0, eps_schwarz, ln_10, & local
641 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
869 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
885 IF (cartesian_estimate == 0.0_dp) cartesian_estimate = TINY(cartesian_estimate)
886 estimate_to_store_int = EXPONENT(cartesian_estimate)
888 cartesian_estimate = SET_EXPONENT(1.0_dp, estimate_to_store_int + 1)
H A Dmp2_direct_method.F145 REAL(KIND=dp) :: cartesian_estimate, coeffs_kind_max0, cost_tmp, eps_schwarz, ln_10, & local
520 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
536 IF (cartesian_estimate == 0.0_dp) cartesian_estimate = TINY(cartesian_estimate)
537 estimate_to_store_int = EXPONENT(cartesian_estimate)
539 cartesian_estimate = SET_EXPONENT(1.0_dp, estimate_to_store_int + 1)
541 IF (cartesian_estimate < eps_schwarz) CYCLE
H A Dhfx_derivatives.F162 REAL(dp) :: bintime_start, bintime_stop, cartesian_estimate, cartesian_estimate_virial, & local
1300 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
H A Dhfx_energy_potential.F193 REAL(dp) :: afac, bintime_start, bintime_stop, cartesian_estimate, compression_factor, & local
1534 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_ri_libint.F453 REAL(KIND=dp) :: cartesian_estimate, coeffs_kind_max0, eps_schwarz, ln_10, & local
641 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
869 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
885 IF (cartesian_estimate == 0.0_dp) cartesian_estimate = TINY(cartesian_estimate)
886 estimate_to_store_int = EXPONENT(cartesian_estimate)
888 cartesian_estimate = SET_EXPONENT(1.0_dp, estimate_to_store_int + 1)
H A Dmp2_direct_method.F145 REAL(KIND=dp) :: cartesian_estimate, coeffs_kind_max0, cost_tmp, eps_schwarz, ln_10, & local
520 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
536 IF (cartesian_estimate == 0.0_dp) cartesian_estimate = TINY(cartesian_estimate)
537 estimate_to_store_int = EXPONENT(cartesian_estimate)
539 cartesian_estimate = SET_EXPONENT(1.0_dp, estimate_to_store_int + 1)
541 IF (cartesian_estimate < eps_schwarz) CYCLE
H A Dhfx_derivatives.F158 REAL(dp) :: bintime_start, bintime_stop, cartesian_estimate, cartesian_estimate_virial, & local
1290 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
H A Dhfx_energy_potential.F193 REAL(dp) :: afac, bintime_start, bintime_stop, cartesian_estimate, compression_factor, & local
1534 max_contraction_val, cartesian_estimate, cell, neris_tmp, &