| 116 |
|
double precision, external :: derfc |
| 117 |
|
#endif |
| 118 |
|
|
| 119 |
< |
public :: setElectrostaticSumMethod |
| 119 |
> |
public :: setElectrostaticSummationMethod |
| 120 |
|
public :: setScreeningMethod |
| 121 |
|
public :: setElectrostaticCutoffRadius |
| 122 |
|
public :: setDampingAlpha |
| 150 |
|
|
| 151 |
|
contains |
| 152 |
|
|
| 153 |
< |
subroutine setElectrostaticSumMethod(the_ESM) |
| 153 |
> |
subroutine setElectrostaticSummationMethod(the_ESM) |
| 154 |
|
integer, intent(in) :: the_ESM |
| 155 |
|
|
| 156 |
|
if ((the_ESM .le. 0) .or. (the_ESM .gt. REACTION_FIELD)) then |
| 157 |
< |
call handleError("setElectrostaticSumMethod", "Unsupported Summation Method") |
| 157 |
> |
call handleError("setElectrostaticSummationMethod", "Unsupported Summation Method") |
| 158 |
|
endif |
| 159 |
|
|
| 160 |
|
summationMethod = the_ESM |
| 161 |
|
|
| 162 |
< |
end subroutine setElectrostaticSumMethod |
| 162 |
> |
end subroutine setElectrostaticSummationMethod |
| 163 |
|
|
| 164 |
|
subroutine setScreeningMethod(the_SM) |
| 165 |
|
integer, intent(in) :: the_SM |
