RC_TAPER | |
RC_TAPER {real} | |
Atomic Cutoff Radius Cutoff for Tapering the screening term. | |
This optional keyword expects a real. Default unit: [angstrom], default value: 1.1999999999999998E+01 angstrom | |
RC_RANGE | |
RC_RANGE {real} | |
Range of cutoff switch function (tapering): 0.5*(1-TANH((r-r0)/RC_RANGE)), where r0=2*RC_TAPER-20*RC_RANGE. | |
This optional keyword expects a real. Default unit: [angstrom], default value: 0.0000000000000000E+00 angstrom |