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models:analytic_functions [2019/02/23 09:44] – ↷ Page moved from analytic_functions to models:analytic_functions danielmodels:analytic_functions [2021/11/12 15:56] (current) – Add notes about non_es functions. daniel
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 For details see the ''functions.h'' and ''functions.c'' files. For details see the ''functions.h'' and ''functions.c'' files.
  
-If you want to add other analytic potentials see [[:add_new_functions|this guide]].+If you want to add other analytic potentials see [[models:adding_analytic_functions|this guide]].
  
 Each function is given in the following form: Each function is given in the following form:
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 ^ ''ms'' | 3 | $D_e,\,a,\,r_0$ | [[http://dx.doi.org/doi:10.1063/1.1513312|Link]] | ^ ''ms'' | 3 | $D_e,\,a,\,r_0$ | [[http://dx.doi.org/doi:10.1063/1.1513312|Link]] |
-| $$V(r)=D_e\left[\exp\left(a\left(1-\frac{r}{r_0}\right)\right)-2\exp\left(\frac{a}{2}\left(1-\frac{r}{r_0}\right)\right)\right]$$ ||||+| $$V(r)=D_e\left[\exp\left(a\left(1-\frac{r}{r_0}\right)\right)-2\exp\left(\frac{a}{2}\left(1-\frac{r}{r_0}\right)\right)\right]$$ <wrap round important 440px center> 
 +When using electrostatic interactions this function is defined differently! 
 +</wrap>See section 2. Shifting in [[interactions:coulomb|Coulomb Interactions]] for details. This definition is available under the new name ''ms_non_es''. ||||
  
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 ^ ''buck'' | 3 | $\alpha, \beta, \gamma$ | [[http://dx.doi.org/doi:10.1098/rspa.1977.0049|Link]] | ^ ''buck'' | 3 | $\alpha, \beta, \gamma$ | [[http://dx.doi.org/doi:10.1098/rspa.1977.0049|Link]] |
-| $$V(r)=\alpha\exp\left(-\frac{r}{\beta}\right)-\gamma\left(\frac{\beta}{r}\right)^6$$ ||||+| $$V(r)=\alpha\exp\left(-\frac{r}{\beta}\right)-\gamma\left(\frac{\beta}{r}\right)^6$$ <wrap round important 440px center> 
 +When using electrostatic interactions this function is defined differently! 
 +</wrap>See section 2. Shifting in [[interactions:coulomb|Coulomb Interactions]] for details. This definition is available under the new name ''buck_non_es''. ||||
  
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-^ ''gljm'' | 12 | $V_0,b_1,b_2,r_1,m,\delta,A_0,$ $B_0,C_0,r_0,y,\gamma$ | [[http://dx.doi.org/doi:10.1016/j.actamat.2005.05.001|Link]] |+^ ''gljm'' | 12 | $V_0,b_1,b_2,r_1,\delta,m,A_0,$ $B_0,C_0,r_0,y,\gamma$ | [[http://dx.doi.org/doi:10.1016/j.actamat.2005.05.001|Link]] |
 | $$V(r)=\frac{V_0}{b_2-b_1}\left(\frac{b_2}{(r/r_1)^{b_1}}-\frac{b_1}{(r/r_1)^{b_2}}\right)+\delta $$ $$ + m\left[A_0(r-r_0)^y\exp\left(-\gamma(r-r_0)\right)\left[1+B_0\exp\left(-\gamma(r-r_0)\right)\right]+C_0\right]$$ |||| | $$V(r)=\frac{V_0}{b_2-b_1}\left(\frac{b_2}{(r/r_1)^{b_1}}-\frac{b_1}{(r/r_1)^{b_2}}\right)+\delta $$ $$ + m\left[A_0(r-r_0)^y\exp\left(-\gamma(r-r_0)\right)\left[1+B_0\exp\left(-\gamma(r-r_0)\right)\right]+C_0\right]$$ ||||
  
models/analytic_functions.1550911485.txt.gz · Last modified: 2019/02/23 09:44 by daniel