Segmentation fault when calling function 3c2e_ip1 and 3c2e_ip2

[vfornemo]

Segmentation fault when calling function 3c2e_ip1 and 3c2e_ip2

[sunqm]

This is the signature of int3c2e_ip1_sph function

size_t int3c2e_ip1_sph(double *out, int *dims, int *shls,
int *atm, int natm, int *bas, int nbas, double *env, CINTOpt *opt, double *cache);

Your code miss the last argument cache. You can set it to NULL for convenience. To get best performance, you can pass the pointer of a pre-allocated buffer.

[vfornemo]

Thank you so much for your help. It turned out that the problem was caused by the lack of "c" in front of the function name, but strangely the compiler did not report error. Anyway, thank you very much for the library.