Searched refs:IGauss (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_gpw_energy.F | 398 INTEGER :: handle, handle2, IGauss, ilevel, Imm, & local 425 Gaussian: DO IGauss = 1, pgf%Number_of_Gaussians 426 alpha = 1.0_dp/pgf%Gk(IGauss) 428 height = pgf%Ak(IGauss) 429 ilevel = pgf%grid_level(IGauss)
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H A D | qmmm_gpw_forces.F | 622 INTEGER :: handle, handle2, IGauss, ilevel, Imm, & local 645 Gaussian: DO IGauss = 1, pgf%Number_of_Gaussians 646 alpha = 1.0_dp/pgf%Gk(IGauss) 648 height = pgf%Ak(IGauss) 649 ilevel = pgf%grid_level(IGauss)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_gpw_energy.F | 398 INTEGER :: handle, handle2, IGauss, ilevel, Imm, & local 425 Gaussian: DO IGauss = 1, pgf%Number_of_Gaussians 426 alpha = 1.0_dp/pgf%Gk(IGauss) 428 height = pgf%Ak(IGauss) 429 ilevel = pgf%grid_level(IGauss)
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H A D | qmmm_gpw_forces.F | 622 INTEGER :: handle, handle2, IGauss, ilevel, Imm, & local 645 Gaussian: DO IGauss = 1, pgf%Number_of_Gaussians 646 alpha = 1.0_dp / pgf%Gk(IGauss) 648 height = pgf%Ak(IGauss) 649 ilevel = pgf%grid_level(IGauss)
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