FINT int1e_spspsp_sph(double *out, FINT *dims, FINT *shls,
FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) {
FINT ng[] = {1, 2, 0, 0, 3, 4, 1, 1};
CINTEnvVars envs;
CINTinit_int1e_EnvVars(&envs, ng, shls, atm, natm, bas, nbas, env);
envs.f_gout = &CINTgout1e_int1e_spspsp;
return CINT1e_drv(out, dims, &envs, cache, &c2s_sph_1e, 0);
} // int1e_spspsp_sph
FINT cint1e_ipipovlp_sph(double *opij, const FINT *shls,
const FINT *atm, const FINT natm,
const FINT *bas, const FINT nbas, const double *env) {
FINT ng[] = {2, 0, 0, 0, 2, 1, 0, 9};
CINTEnvVars envs;
CINTinit_int1e_EnvVars(&envs, ng, shls, atm, natm, bas, nbas, env);
envs.f_gout = &CINTgout1e_cint1e_ipipovlp_sph;
return CINT1e_drv(opij, &envs, 1, &c2s_sph_1e); }
FINT int1e_spnuc_cart(double *out, FINT *dims, FINT *shls,
FINT *atm, FINT natm, FINT *bas, FINT nbas, double *env, CINTOpt *opt, double *cache) {
FINT ng[] = {1, 0, 0, 0, 1, 4, 0, 1};
CINTEnvVars envs;
CINTinit_int1e_EnvVars(&envs, ng, shls, atm, natm, bas, nbas, env);
envs.f_gout = &CINTgout1e_int1e_spnuc;
return CINT1e_drv(out, dims, &envs, cache, &c2s_cart_1e, 2);
} // int1e_spnuc_cart
FINT cint1e_ipkin_cart(double *opij, const FINT *shls,
const FINT *atm, const FINT natm,
const FINT *bas, const FINT nbas, const double *env) {
FINT ng[] = {1, 2, 0, 0, 3, 1, 0, 3};
CINTEnvVars envs;
CINTinit_int1e_EnvVars(&envs, ng, shls, atm, natm, bas, nbas, env);
envs.f_gout = &CINTgout1e_cint1e_ipkin_cart;
return CINT1e_drv(opij, &envs, 0.5, &c2s_cart_1e); }