cloudy trunk
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#include <mole_priv.h>
Public Member Functions | |
void | updateMolecules (const valarray< double > &b2) |
void | setup (double *b0vec) |
GroupMap (size_t size) |
Data Fields | |
multi_arr< double, 2 > | fion |
valarray< double > | molElems |
Definition at line 21 of file mole_priv.h.
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inline |
Definition at line 27 of file mole_priv.h.
void GroupMap::setup | ( | double * | b0vec | ) |
Definition at line 565 of file mole_solve.cpp.
References ASSERT, atom_list, conv, dense, deut, fion, get_ptr(), grouped_elems(), groupspecies, ioQQQ, mole, mole_global, molElems, SMALLABUND, and SMALLFLOAT.
Referenced by mole_solve().
void GroupMap::updateMolecules | ( | const valarray< double > & | b2 | ) |
Definition at line 665 of file mole_solve.cpp.
References ASSERT, atom_list, b2, DEBUG_ENTRY, fion, groupspecies, mole, and mole_global.
Referenced by funjac(), and mole_solve().
multi_arr<double,2> GroupMap::fion |
Definition at line 23 of file mole_priv.h.
Referenced by funjac(), GroupMap(), setup(), and updateMolecules().
valarray<double> GroupMap::molElems |
Definition at line 24 of file mole_priv.h.
Referenced by funjac(), GroupMap(), and setup().