2012-11-20から1日間の記事一覧

qchem tips

#001 実行方法 $ source /usr/local/qchem-4.0.1/qcenv.sh $ qchem --help You are running Q-Chem version: 4.0.1 Error: input file --help does not exist ! /usr/local/qchem-4.0.1/bin/qchem [-save] [-par|-seq] [-nt nthreads] [-np nprocs] input ou…