Would it be of interest to support SAPT calculations in MolSSI through the QCManyBody package?
My group have done about 30,000-40,000 calculations as the SAPT2+(CCD)dMP2/aug-cc-pvtz level that we aim to publish a data paper for in the near future. Could MolSSI be a good home for such a dataset?
Would it be of interest to support SAPT calculations in MolSSI through the QCManyBody package?
My group have done about 30,000-40,000 calculations as the SAPT2+(CCD)dMP2/aug-cc-pvtz level that we aim to publish a data paper for in the near future. Could MolSSI be a good home for such a dataset?