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Searched refs:IGauss (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_gpw_energy.F398 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)
H A Dqmmm_gpw_forces.F622 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_gpw_energy.F398 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)
H A Dqmmm_gpw_forces.F622 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)