TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and fu...
Turbomole 7.4.1 released Dear Turbomole Users, Turbomole version 7.4.1 has been released, this is a bugfix version for 7.4 and mainly resolves technical issues with Intel MPI. Initially it was assumed that there is a bug in riper when using ECPs, but this turned out to be not ... Source: Turbomole Forum
Bengaluru: November 25, 2019 at 02:23PM