Searched refs:func_ij (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | colvar_methods.F | 4217 REAL(dp) :: dfunc_ij, dfunc_jk, func_ij, func_jk, func_k, inv_n_atoms_from, invden_ij, & local
4265 func_ij = num_ij*invden_ij
4275 func_ij = REAL(p_a, KIND=dp)/REAL(q_a, KIND=dp)
4307 ftmp_k = -func_ij*dfunc_jk*xjk
4310 ftmp_j = -dfunc_ij*xij*func_jk + func_ij*dfunc_jk*xjk
4319 ncoord = ncoord + func_ij*func_k
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | colvar_methods.F | 4217 REAL(dp) :: dfunc_ij, dfunc_jk, func_ij, func_jk, func_k, inv_n_atoms_from, invden_ij, & local
4265 func_ij = num_ij*invden_ij
4275 func_ij = REAL(p_a, KIND=dp)/REAL(q_a, KIND=dp)
4307 ftmp_k = -func_ij*dfunc_jk*xjk
4310 ftmp_j = -dfunc_ij*xij*func_jk + func_ij*dfunc_jk*xjk
4319 ncoord = ncoord + func_ij*func_k
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