Okuyama
okymm****@gmail*****
2013年 1月 27日 (日) 15:26:48 JST
Dear Mr. Fujii, I'm going to regist the following terms to a new revision (more than 1262) of the molDS, ■trunk/doc/README.txt Adding the manual of the unpaired electron population to the <CIS> ■trunk/test/c2h6_pm3_directCIS_singlet.in Adding a option, "unapired_electron_population yes" to a input, "test/c2h6_pm3_directCIS_singlet.in" ■trunk/test/test/c2h6_pm3_directCIS_singlet.dat Replacing a original file(rev. 1262), "test/c2h6_pm3_directCIS_singlet.dat" to a log file that is calculated by the above input. Before doing the registration, I made a patch file that include the above modification. Are my modifications correct? I would like you to give some opinions and a judgement with respect to my modification. P.S.: This patch is based on a revision 1262 of the molDS. How to apply a patch: In trunk, execute the following command, patch -p0 < (The path of this patch file) Best regards. M. Okuyama. -------------- next part -------------- $B%F%-%9%H7A<00J30$NE:IU%U%!%$%k$rJ]4I$7$^$7$?(B... $B%U%!%$%kL>(B: add_uep_doc_and_test.patch $B7?(B: text/x-patch $B%5%$%:(B: 8485 $B%P%$%H(B $B @ bL@(B: $BL5$7(B Télécharger