Searched refs:tmp_max_virial (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hfx_libint_interface.F | 529 tmp_max_virial = MAX(tmp_max_virial, & 532 tmp_max_virial = tmp_max_virial*max_contraction 624 tmp_max_virial = MAX(tmp_max_virial, & 627 tmp_max_virial = tmp_max_virial*max_contraction 719 tmp_max_virial = MAX(tmp_max_virial, & 722 tmp_max_virial = tmp_max_virial*max_contraction 813 tmp_max_virial = MAX(tmp_max_virial, & 907 tmp_max_virial = MAX(tmp_max_virial, & 1002 tmp_max_virial = MAX(tmp_max_virial, & 1097 tmp_max_virial = MAX(tmp_max_virial, & [all …]
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H A D | hfx_derivatives.F | 1882 … REAL(dp) :: EtaInv, tmp_max, tmp_max_virial, Zeta_A, & local 1943 tmp_max_virial = 0.0_dp 1960 primitive_integrals_virial, cell, tmp_max_virial) 1962 … IF (use_virial) cart_estimate_virial = MAX(tmp_max_virial, cart_estimate_virial)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hfx_libint_interface.F | 529 tmp_max_virial = MAX(tmp_max_virial, & 532 tmp_max_virial = tmp_max_virial*max_contraction 624 tmp_max_virial = MAX(tmp_max_virial, & 627 tmp_max_virial = tmp_max_virial*max_contraction 719 tmp_max_virial = MAX(tmp_max_virial, & 722 tmp_max_virial = tmp_max_virial*max_contraction 813 tmp_max_virial = MAX(tmp_max_virial, & 907 tmp_max_virial = MAX(tmp_max_virial, & 1002 tmp_max_virial = MAX(tmp_max_virial, & 1097 tmp_max_virial = MAX(tmp_max_virial, & [all …]
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H A D | hfx_derivatives.F | 1896 … REAL(dp) :: EtaInv, tmp_max, tmp_max_virial, Zeta_A, & local 1957 tmp_max_virial = 0.0_dp 1974 primitive_integrals_virial, cell, tmp_max_virial) 1976 … IF (use_virial) cart_estimate_virial = MAX(tmp_max_virial, cart_estimate_virial)
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