Searched refs:invden_cut (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | colvar_methods.F | 3807 REAL(KIND=dp) :: dfcut, drik, drji, drjk, fbrace, fcut, fscalar, invden, invden_cut, lambda, & local
3924 invden_cut = 1.0_dp/(1.0_dp - (naoh/nc)**qcut)
3925 fcut = num_cut*invden_cut
3933 dfcut = ((-pcut*(naoh/nc)**(pcut - 1)*invden_cut) &
3934 + num_cut*(invden_cut**2)*qcut*(naoh/nc)**(qcut - 1))/nc
3999 REAL(KIND=dp) :: dfcut, drji, drjk, drki, fcut, fscalar, invden, invden_cut, lambda, naoh, & local
4147 invden_cut = 1.0_dp/(1.0_dp - (naoh/nc)**qcut)
4148 fcut = num_cut*invden_cut
4159 dfcut = ((-pcut*(naoh/nc)**(pcut - 1)*invden_cut) &
4160 + num_cut*(invden_cut**2)*qcut*(naoh/nc)**(qcut - 1))/nc
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | colvar_methods.F | 3807 REAL(KIND=dp) :: dfcut, drik, drji, drjk, fbrace, fcut, fscalar, invden, invden_cut, lambda, & local
3924 invden_cut = 1.0_dp/(1.0_dp - (naoh/nc)**qcut)
3925 fcut = num_cut*invden_cut
3933 dfcut = ((-pcut*(naoh/nc)**(pcut - 1)*invden_cut) &
3934 + num_cut*(invden_cut**2)*qcut*(naoh/nc)**(qcut - 1))/nc
3999 REAL(KIND=dp) :: dfcut, drji, drjk, drki, fcut, fscalar, invden, invden_cut, lambda, naoh, & local
4147 invden_cut = 1.0_dp/(1.0_dp - (naoh/nc)**qcut)
4148 fcut = num_cut*invden_cut
4159 dfcut = ((-pcut*(naoh/nc)**(pcut - 1)*invden_cut) &
4160 + num_cut*(invden_cut**2)*qcut*(naoh/nc)**(qcut - 1))/nc
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