On Fri, 2012-04-13 at 11:01 +1000, Mark Abraham wrote:
On 13/04/2012 2:48 AM, Laura Leay wrote:
All,
I'm trying to run a tabulated soft core potential with the form V =
A + Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential
after this.
I've chosen the parameters of
On 17/04/2012 1:50 AM, Laura Leay wrote:
On Fri, 2012-04-13 at 11:01 +1000, Mark Abraham wrote:
On 13/04/2012 2:48 AM, Laura Leay wrote:
All,
I'm trying to run a tabulated soft core potential with the form V =
A + Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential
after this.
On 13/04/2012 2:48 AM, Laura Leay wrote:
All,
I'm trying to run a tabulated soft core potential with the form V = A
+ Br^2 + Cr^3 up to about r=0.1 A and the normal LJ 6-12 potential
after this.
I've chosen the parameters of this equation to be the same for all
atoms in my system (a
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