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• 17:32, 17 October 2022 James talk contribs created page GAMESS-US (Created page with "The program is installed on PENZIAS. Before run the program please load the proper module file: <pre> module load gamess-us </pre> Below is a simple test input file named '''test_1.inp''' for GAMESS: <pre> ! test_1 ! 1-A-1 CH2 RHF geometry optimization using GAMESS. ! ! Although internal coordinates are used (COORD=ZMAT), ! the optimization is done in Cartesian space (NZVAR=0). ! This run uses a criterion (OPTTOL) on the gradient ! which is tighter th...") Tag: Visual edit: Switched