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Chemical Data Processing Library C++ API - Version 1.4.0
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Provides keys for built-in control-parameters. More...
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| CDPL_GRID_API const Base::LookupKey | STRICT_ERROR_CHECKING |
| Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail. More... | |
| CDPL_GRID_API const Base::LookupKey | CDF_OUTPUT_SINGLE_PRECISION_FLOATS |
Specifies whether floating-point values shall be output in single-precision (true) or double-precision (false) when writing data in CDF format. More... | |
| CDPL_GRID_API const Base::LookupKey | CUBE_COMMENT_IS_NAME |
| Specifies whether to interpret the comment line of a Gaussian CUBE file as the grid name on data I/O. More... | |
| CDPL_GRID_API const Base::LookupKey | CUBE_INPUT_DISTANCE_SCALING_FACTOR |
| Specifies the scaling factor to apply to distances read from data in Gaussian CUBE format. More... | |
| CDPL_GRID_API const Base::LookupKey | CUBE_OUTPUT_DISTANCE_SCALING_FACTOR |
| Specifies the scaling factor to apply to distances when generating Gaussian CUBE output. More... | |
Provides keys for built-in control-parameters.
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extern |
Specifies whether non-fatal recoverable I/O errors should be ignored or cause an I/O operation to fail.
If the parameter is set to true, not only severe errors cause an I/O operation to fail, but also non-fatal errors from which a recovery would be possible. If the parameter is set to false, I/O operations will proceed even if a non-fatal error has been detected.
Value Type: bool
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extern |
Specifies whether floating-point values shall be output in single-precision (true) or double-precision (false) when writing data in CDF format.
Value Type: bool
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extern |
Specifies whether to interpret the comment line of a Gaussian CUBE file as the grid name on data I/O.
Value Type: bool
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extern |
Specifies the scaling factor to apply to distances read from data in Gaussian CUBE format.
Value Type: double
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extern |
Specifies the scaling factor to apply to distances when generating Gaussian CUBE output.
Value Type: double