mmd_data Struct Reference

Data Fields
double	A [3]
double	B [3]
double	C [3]
double	Q [3]
double	q
double	K_abc [3]
double	R_QC_2
double	boys [100]
double	E [3][LMAX][LMAX][2 *LMAX]
double	R [2 *LMAX][2 *LMAX][2 *LMAX][2 *LMAX]

Detailed Description

Definition at line 62 of file grpp_type1_mcmurchie_davidson.c.

Field Documentation

A

double mmd_data::A[3]

Definition at line 63 of file grpp_type1_mcmurchie_davidson.c.

B

double mmd_data::B[3]

Definition at line 64 of file grpp_type1_mcmurchie_davidson.c.

C

double mmd_data::C[3]

Definition at line 65 of file grpp_type1_mcmurchie_davidson.c.

Q

double mmd_data::Q[3]

Definition at line 66 of file grpp_type1_mcmurchie_davidson.c.

q

double mmd_data::q

Definition at line 67 of file grpp_type1_mcmurchie_davidson.c.

K_abc

double mmd_data::K_abc[3]

Definition at line 68 of file grpp_type1_mcmurchie_davidson.c.

R_QC_2

double mmd_data::R_QC_2

Definition at line 69 of file grpp_type1_mcmurchie_davidson.c.

boys

double mmd_data::boys[100]

Definition at line 70 of file grpp_type1_mcmurchie_davidson.c.

E

double mmd_data::E[3][LMAX][LMAX][2 *LMAX]

Definition at line 71 of file grpp_type1_mcmurchie_davidson.c.

R

double mmd_data::R[2 *LMAX][2 *LMAX][2 *LMAX][2 *LMAX]

Definition at line 72 of file grpp_type1_mcmurchie_davidson.c.

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The documentation for this struct was generated from the following file:

• grpp/grpp_type1_mcmurchie_davidson.c