Searched refs:k_quartic (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | metadynamics_utils.F | 470 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quartic) 473 … metavar%walls(i)%pos0 = metavar%walls(i)%pos + (0.05_dp/metavar%walls(i)%k_quartic**(0.25_dp)) 475 … metavar%walls(i)%pos0 = metavar%walls(i)%pos - (0.05_dp/metavar%walls(i)%k_quartic**(0.25_dp)) 934 efunc = colvars(ih)%walls(iwall)%k_quartic*diff_ss*diff_ss**4 935 dfunc = 4.0_dp*colvars(ih)%walls(iwall)%k_quartic*diff_ss**3
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H A D | metadynamics_types.F | 63 REAL(KIND=dp) :: k_quadratic, k_quartic, ww_gauss, sigma_gauss component
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | metadynamics_utils.F | 470 CALL section_vals_val_get(work_section, "K", r_val=metavar%walls(i)%k_quartic) 473 … metavar%walls(i)%pos0 = metavar%walls(i)%pos + (0.05_dp/metavar%walls(i)%k_quartic**(0.25_dp)) 475 … metavar%walls(i)%pos0 = metavar%walls(i)%pos - (0.05_dp/metavar%walls(i)%k_quartic**(0.25_dp)) 934 efunc = colvars(ih)%walls(iwall)%k_quartic*diff_ss*diff_ss**4 935 dfunc = 4.0_dp*colvars(ih)%walls(iwall)%k_quartic*diff_ss**3
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H A D | metadynamics_types.F | 64 REAL(KIND=dp) :: k_quadratic, k_quartic, ww_gauss, sigma_gauss component
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