3.3.5. horton/gbasis/calc.h – Base class for any integral/evaluation of Gaussian functions¶
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class
GBCalculator¶ Subclassed by GB1GridFn, GB2DMGridFn, GB2Integral, GB4Integral
Public Functions
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GBCalculator(long max_shell_type)¶ Construct a GBCalculator object.
- Parameters
max_shell_type: The maximum shell type in the basis set. This is used to allocate sufficiently large working arrays.
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~GBCalculator()¶
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const long
get_nwork() const¶
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const long
get_max_shell_type() const¶
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const long
get_max_nbasis() const¶
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const double *
get_work() const¶
Protected Functions
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void
swap_work()¶
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