diff options
Diffstat (limited to 'src/common/3d.cube.size3/evaluate-molecule.c')
-rw-r--r-- | src/common/3d.cube.size3/evaluate-molecule.c | 27 |
1 files changed, 27 insertions, 0 deletions
diff --git a/src/common/3d.cube.size3/evaluate-molecule.c b/src/common/3d.cube.size3/evaluate-molecule.c new file mode 100644 index 0000000..9ed9280 --- /dev/null +++ b/src/common/3d.cube.size3/evaluate-molecule.c @@ -0,0 +1,27 @@ + coeffs->coeff_m1_m1_m1*data->data_m1_m1_m1 + + coeffs->coeff_0_m1_m1*data->data_0_m1_m1 + + coeffs->coeff_p1_m1_m1*data->data_p1_m1_m1 + + coeffs->coeff_m1_0_m1*data->data_m1_0_m1 + + coeffs->coeff_0_0_m1*data->data_0_0_m1 + + coeffs->coeff_p1_0_m1*data->data_p1_0_m1 + + coeffs->coeff_m1_p1_m1*data->data_m1_p1_m1 + + coeffs->coeff_0_p1_m1*data->data_0_p1_m1 + + coeffs->coeff_p1_p1_m1*data->data_p1_p1_m1 + + coeffs->coeff_m1_m1_0*data->data_m1_m1_0 + + coeffs->coeff_0_m1_0*data->data_0_m1_0 + + coeffs->coeff_p1_m1_0*data->data_p1_m1_0 + + coeffs->coeff_m1_0_0*data->data_m1_0_0 + + coeffs->coeff_0_0_0*data->data_0_0_0 + + coeffs->coeff_p1_0_0*data->data_p1_0_0 + + coeffs->coeff_m1_p1_0*data->data_m1_p1_0 + + coeffs->coeff_0_p1_0*data->data_0_p1_0 + + coeffs->coeff_p1_p1_0*data->data_p1_p1_0 + + coeffs->coeff_m1_m1_p1*data->data_m1_m1_p1 + + coeffs->coeff_0_m1_p1*data->data_0_m1_p1 + + coeffs->coeff_p1_m1_p1*data->data_p1_m1_p1 + + coeffs->coeff_m1_0_p1*data->data_m1_0_p1 + + coeffs->coeff_0_0_p1*data->data_0_0_p1 + + coeffs->coeff_p1_0_p1*data->data_p1_0_p1 + + coeffs->coeff_m1_p1_p1*data->data_m1_p1_p1 + + coeffs->coeff_0_p1_p1*data->data_0_p1_p1 + + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1; |