Features and changes introduced in Rev. B.01 are indicated by [REV B].New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed[wonderplugin_tab_content]New Modeling Capabilities[REV B] Static Raman intensities can be computed for excited...
Features and changes introduced in Revs. B.01 and C.01 are indicated by [REV B] and [REV C], respectively.New FeaturesFunc. ChangesUsing GPUsParallel Perf.CCSD Perf.EquivalenciesBugs Fixed New Modeling Capabilities [REV C] NBO version 7 is supported. There are new...
Using GPUs Gaussian 16 can use NVIDIA K40, K80, P100 (Rev. B.01) and V100 (Rev. C.01) GPUs under Linux. Earlier GPUs do not have the computational capabilities or memory size to run the algorithms in Gaussian 16. Allocating Memory for Jobs Allocating sufficient...
Lines in a ModRedundant input section use the following syntax: [Type] N1 [N2 [N3 [N4]]] [A | F] [Type] N1 [N2 [N3 [N4]]] B [Type] N1 [N2 [N3 [N4]]] K | R [Type] N1 [N2 [N3 [N4]]] D [Type] N1 [N2 [N3 [N4]]] H diag-elem [Type] N1 [N2 [N3 [N4]]] S nsteps stepsize N1,...