diff options
Diffstat (limited to 'src/common/3d.cube.size2/evaluate-molecule.c')
| -rw-r--r-- | src/common/3d.cube.size2/evaluate-molecule.c | 8 |
1 files changed, 8 insertions, 0 deletions
diff --git a/src/common/3d.cube.size2/evaluate-molecule.c b/src/common/3d.cube.size2/evaluate-molecule.c new file mode 100644 index 0000000..ca7209f --- /dev/null +++ b/src/common/3d.cube.size2/evaluate-molecule.c @@ -0,0 +1,8 @@ + coeffs->coeff_0_0_0*data->data_0_0_0 + + coeffs->coeff_p1_0_0*data->data_p1_0_0 + + coeffs->coeff_0_p1_0*data->data_0_p1_0 + + coeffs->coeff_p1_p1_0*data->data_p1_p1_0 + + coeffs->coeff_0_0_p1*data->data_0_0_p1 + + coeffs->coeff_p1_0_p1*data->data_p1_0_p1 + + coeffs->coeff_0_p1_p1*data->data_0_p1_p1 + + coeffs->coeff_p1_p1_p1*data->data_p1_p1_p1; |