Loading doc/src/compute_mliap.rst +1 −1 Original line number Diff line number Diff line Loading @@ -104,7 +104,7 @@ layout in the global array. The optional keyword *gradgradflag* controls how the force gradient is calculated. A value of 1 requires that the model provide the matrix of double gradients of energy w.r.t. both parameters and desciptors. For the linear and quadratic models this matrix is and descriptors. For the linear and quadratic models this matrix is sparse and so is easily calculated and stored. For other models, this matrix may be prohibitively expensive to calculate and store. A value of 0 requires that the descriptor provide the derivative Loading doc/utils/sphinx-config/false_positives.txt +1 −0 Original line number Diff line number Diff line Loading @@ -1074,6 +1074,7 @@ GPa gpu gpuID gpus gradgradflag gradV GradVidottan graining Loading Loading
doc/src/compute_mliap.rst +1 −1 Original line number Diff line number Diff line Loading @@ -104,7 +104,7 @@ layout in the global array. The optional keyword *gradgradflag* controls how the force gradient is calculated. A value of 1 requires that the model provide the matrix of double gradients of energy w.r.t. both parameters and desciptors. For the linear and quadratic models this matrix is and descriptors. For the linear and quadratic models this matrix is sparse and so is easily calculated and stored. For other models, this matrix may be prohibitively expensive to calculate and store. A value of 0 requires that the descriptor provide the derivative Loading
doc/utils/sphinx-config/false_positives.txt +1 −0 Original line number Diff line number Diff line Loading @@ -1074,6 +1074,7 @@ GPa gpu gpuID gpus gradgradflag gradV GradVidottan graining Loading
