140 |
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void fastForward( char* stopText, char* searchOwner ); |
141 |
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}; |
142 |
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|
143 |
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// class SSD_FF : public ForceFields{ |
144 |
– |
|
145 |
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// public: |
146 |
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// SSD_FF(); |
147 |
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// virtual ~SSD_FF(); |
148 |
– |
|
149 |
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// void initializeAtoms( void ); |
150 |
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// void initializeBonds( bond_pair* the_bonds ); |
151 |
– |
// void initializeBends( bend_set* the_bends ); |
152 |
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// void initializeTorsions( torsion_set* the_torsions ); |
153 |
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// void setSSDfortran( void (*fortranSub)( double* positionArray, |
154 |
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// double* forceArray, |
155 |
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// double* potentialEnergy, |
156 |
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// short int* doPotentialCalc ) ){ |
157 |
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// doSSDfortran = fortranSub; |
158 |
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// } |
159 |
– |
// void doForces( int ); |
160 |
– |
|
161 |
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// private: |
162 |
– |
|
163 |
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// void fastForward( char* stopText, char* searchOwner ); |
164 |
– |
|
165 |
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// // set our sister fortran module's function to be our own. |
166 |
– |
// void wrapMe( void ); |
167 |
– |
// void (*doSSDfortran)( double* positionArray, |
168 |
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// double* forceArray, |
169 |
– |
// double* potentialEnergy, |
170 |
– |
// short int* doPotentialCalc ); |
171 |
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// void initFortran( void ); |
172 |
– |
// }; |
173 |
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|
143 |
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#endif |
144 |
+ |
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