gbasis
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Getting Started
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Python Interface
Gaussian basis sets
Computing an integral involving the electron density
Constructing a one-body operator from a real-space potential
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C++ Backend API
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File common.h
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File common.h
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gbasis
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Auxiliary functions.
Contents
Definition (
gbasis/common.h
)
Included By
Functions
Defines
Definition (
gbasis/common.h
)
¶
Program Listing for File common.h
Included By
¶
File boys.h
File fns.h
Functions
¶
Function binom
Function cit
Function compute_gpt_center
Function dist_sq
Function dtaylor
Function fac
Function fac2
Function gb_overlap_int1d
Function get_max_shell_type
Function get_shell_nbasis
Function gpt_coeff
Function jfac
Function nuclear_attraction_helper
Defines
¶
Define MAX_NCART_CUMUL
Define MAX_NCART_CUMUL_D
Define MAX_NCART_CUMUL_DD
Define MAX_SHELL_TYPE
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