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This commit is contained in:
Axel Kohlmeyer
2025-06-28 03:18:52 -04:00
parent 481749dc35
commit d5a344a5c8
1 changed files with 5 additions and 5 deletions
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10
src/DIFFRACTION/compute_xrd_consts.h
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@ -28,9 +28,9 @@ x-ray and electron atomic scattering factors at high angles
Acta Crystallogr. A 45 78693
*/
#define XRDmaxType 210
static const char *XRDtypeList[XRDmaxType] = {
static constexpr int XRDmaxType = 210;
namespace {
const char *const XRDtypeList[XRDmaxType] = {
"H", "He1-", "He", "Li", "Li1+", "Be", "Be2+", "B", "C", "Cval", "N", "O",
"O1-", "F", "F1-", "Ne", "Na", "Na1+", "Mg", "Mg2+", "Al", "Al3+", "Si", "Sival",
"Si4+", "P", "S", "Cl", "Cl1-", "Ar", "K", "Ca", "Ca2+", "Sc", "Sc3+", "Ti",
@ -51,7 +51,7 @@ static const char *XRDtypeList[XRDmaxType] = {
"Pu4+", "Pu6+", "Am", "Cm", "Bk", "Cf"};
// a list of atomic scattering factor constants for x-ray diffraction
static const double ASFXRD[XRDmaxType][9] = {
const double ASFXRD[XRDmaxType][9] = {
/* Each set of two rows in this file contains the constants
for 0 < sin(theta)/lambda < 2
A1, B1, A2, B2, A3,
@ -268,5 +268,5 @@ static const double ASFXRD[XRDmaxType][9] = {
{36.7881, 0.451018, 24.7736, 3.04619, 17.8919, 12.8946, 4.23284, 86.003, 13.2754},
{36.9185, 0.437533, 25.1995, 3.00775, 18.3317, 12.4044, 4.24391, 83.7881, 13.2674},
};
} // namespace
#endif