34 |
|
// |
35 |
|
AtomType::complete(); |
36 |
|
|
37 |
< |
int isError; |
37 |
> |
int isError = 0; |
38 |
|
GenericData* data; |
39 |
|
|
40 |
|
//setup dipole atom type in fortran side |
120 |
|
/**@todo change fortran interface */ |
121 |
|
//makeStickyType(&atp.ident, &stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
122 |
|
// &stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
123 |
< |
|
123 |
> |
makeStickyType(&stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
124 |
> |
&stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
125 |
|
if (isError != 0) { |
126 |
|
sprintf( painCave.errMsg, |
127 |
|
"Fortran rejected newLJtype\n"); |