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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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#include "types/DirectionalAtomType.hpp" |
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#include "types/DirectionalAtomType.hpp" |
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#include "UseTheForce/DarkSide/dipole_interface.h" |
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#include "UseTheForce/DarkSide/sticky_interface.h" |
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#include "utils/simError.h" |
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namespace oopse { |
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void DirectionalAtomType::complete() { |
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if (vector3dData != NULL) { |
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Vector3d diagElem= vector3dData->getData(); |
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Mat3x3d Q; |
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Q[0][0] = diagElem[0]; |
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< |
Q[1][1] = diagElem[1]; |
84 |
< |
Q[2][2] = diagElem[2]; |
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> |
Q(0, 0) = diagElem[0]; |
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> |
Q(1, 1) = diagElem[1]; |
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> |
Q(2, 2) = diagElem[2]; |
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//newQuadrupoleType(&atp.ident, Q->getArrayPointer, &isError); |
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if (isError != 0) { |
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if (stickyData != NULL) { |
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StickyParam stickyParam = stickyData->getData(); |
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makeStickyType(&atp.ident, &stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
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&stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
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/**@todo change fortran interface */ |
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//makeStickyType(&atp.ident, &stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
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// &stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
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|
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if (isError != 0) { |
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sprintf( painCave.errMsg, |
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"Fortran rejected newLJtype\n"); |