TmoleX 4.1

Handle TURBOMOLE calculations on a personal computer. Check out the options for managing individual data bits for quantum chemistry research and analysis projects. Organize single and multi-molecule jobs locally or on a remote server. Create queues of multiple works.

TmoleX is an application designed to handle TURBOMOLE calculations and perform quantum chemistry. You can start single and multi-molecule jobs locally or on a remote server. By defining the number of usable CPUs, the program will submit jobs until all allowed CPUs are put to work. Further jobs will be queued to wait for free CPUs.