[ViewVC] Diff of: OpenMD/branches/development/src/nonbonded/SlaterIntegrals.hpp

Comparing branches/development/src/nonbonded/SlaterIntegrals.hpp (file contents):
Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC vs.
Revision 1808 by gezelter, Mon Oct 22 20:42:10 2012 UTC

#	Line 85 \| Line 85 \| template <typename T> inline T mod(T x, T m)
85		* \frac{\alpha^\nu}{\nu!}
86		* \f]
87		* @param n - principal quantum number
88	<	* @param alpha - Slater exponent
88	>	* @param a - Slater exponent
89		* @return the value of Rosen's A integral
90		* @note N. Rosen, Phys. Rev., 38 (1931), 255
91		*/
#	Line 510 \| Line 510 \| inline RealType sSTOOvIntGrad(RealType a, RealType b,
510
511		/**
512		* @brief Calculates a Slater-type orbital exponent based on the hardness parameters
513	<	* @param Hardness: chemical hardness in atomic units
513	>	* @param hardness: chemical hardness in atomic units
514		* @param n: principal quantum number
515		* @note Modified for use with OpenMD by Gezelter and Michalka.
516		*/

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