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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
| 23 |
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* |
| 24 |
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*/ |
| 25 |
– |
#include "types/DirectionalAtomType.hpp" |
| 25 |
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|
| 26 |
+ |
#include "types/DirectionalAtomType.hpp" |
| 27 |
+ |
#include "UseTheForce/DarkSide/dipole_interface.h" |
| 28 |
+ |
#include "UseTheForce/DarkSide/sticky_interface.h" |
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+ |
#include "utils/simError.h" |
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namespace oopse { |
| 31 |
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|
| 32 |
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void DirectionalAtomType::complete() { |
| 79 |
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if (vector3dData != NULL) { |
| 80 |
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Vector3d diagElem= vector3dData->getData(); |
| 81 |
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Mat3x3d Q; |
| 82 |
< |
Q[0][0] = diagElem[0]; |
| 83 |
< |
Q[1][1] = diagElem[1]; |
| 84 |
< |
Q[2][2] = diagElem[2]; |
| 82 |
> |
Q(0, 0) = diagElem[0]; |
| 83 |
> |
Q(1, 1) = diagElem[1]; |
| 84 |
> |
Q(2, 2) = diagElem[2]; |
| 85 |
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|
| 86 |
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//newQuadrupoleType(&atp.ident, Q->getArrayPointer, &isError); |
| 87 |
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if (isError != 0) { |
| 116 |
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|
| 117 |
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if (stickyData != NULL) { |
| 118 |
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StickyParam stickyParam = stickyData->getData(); |
| 116 |
– |
|
| 117 |
– |
makeStickyType(&atp.ident, &stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
| 118 |
– |
&stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
| 119 |
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|
| 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 |
+ |
|
| 124 |
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if (isError != 0) { |
| 125 |
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sprintf( painCave.errMsg, |
| 126 |
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"Fortran rejected newLJtype\n"); |
