Searched refs:cartesian_estimate (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_ri_libint.F | 453 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)
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H A D | mp2_direct_method.F | 145 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
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H A D | hfx_derivatives.F | 162 REAL(dp) :: bintime_start, bintime_stop, cartesian_estimate, cartesian_estimate_virial, & local 1300 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
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H A D | hfx_energy_potential.F | 193 REAL(dp) :: afac, bintime_start, bintime_stop, cartesian_estimate, compression_factor, & local 1534 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_ri_libint.F | 453 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)
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H A D | mp2_direct_method.F | 145 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
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H A D | hfx_derivatives.F | 158 REAL(dp) :: bintime_start, bintime_stop, cartesian_estimate, cartesian_estimate_virial, & local 1290 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
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H A D | hfx_energy_potential.F | 193 REAL(dp) :: afac, bintime_start, bintime_stop, cartesian_estimate, compression_factor, & local 1534 max_contraction_val, cartesian_estimate, cell, neris_tmp, &
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