lburth 62f331af9e blub

2025-04-22 16:04:31 +02:00

..

aug-cc-pvtz+3s3p3d_C2H2

Added cap data and integrals for C2H2 and CO2

2025-04-22 10:52:14 +02:00

aug-cc-pvtz+3s3p3d_C2H4

more CAP data and adapted reading routines for use of a working dir

2025-04-22 11:21:49 +02:00

aug-cc-pvtz+3s3p3d_CO

added precomputed cap integrals

2025-03-28 10:41:52 +01:00

aug-cc-pvtz+3s3p3d_N2

added precomputed cap integrals

2025-03-28 10:41:52 +01:00