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 Log of /scripts
Revision 103 - Directory Listing Modified Sun Jul 30 09:06:01 2017 UTC (6 years, 10 months ago) by tsscds new tutorial in docs and little changes Revision 102 - Directory Listing Modified Sun Jul 30 07:08:32 2017 UTC (6 years, 10 months ago) by tsscds improving scripts Revision 101 - Directory Listing Modified Sat Jul 29 12:39:13 2017 UTC (6 years, 10 months ago) by tsscds updated select.sh and README Revision 100 - Directory Listing Modified Thu Jul 27 14:56:31 2017 UTC (6 years, 10 months ago) by tsscds included mopac as ref Revision 99 - Directory Listing Modified Thu Jul 27 14:06:09 2017 UTC (6 years, 10 months ago) by tsscds some changes to avoid crashing when min opt fails at ll Revision 97 - Directory Listing Modified Wed Jul 26 12:54:37 2017 UTC (6 years, 10 months ago) by tsscds update screening Revision 95 - Directory Listing Modified Wed Jul 26 12:32:37 2017 UTC (6 years, 10 months ago) by tsscds screening printout improved Revision 94 - Directory Listing Modified Wed Jul 26 11:29:43 2017 UTC (6 years, 10 months ago) by tsscds revert.sh Revision 91 - Directory Listing Modified Wed Jul 26 09:49:31 2017 UTC (6 years, 10 months ago) by tsscds migration of rxyz to sqlite3 tables at hl also Revision 89 - Directory Listing Modified Mon Jul 24 14:41:08 2017 UTC (6 years, 10 months ago) by tsscds sqlite3 employed instead of rxyz at ll completed Revision 88 - Directory Listing Modified Sun Jul 23 18:31:27 2017 UTC (6 years, 10 months ago) by tsscds start including sqlite Revision 87 - Directory Listing Modified Sun Jul 23 11:14:50 2017 UTC (6 years, 10 months ago) by tsscds bug in IRC.sh and MIN.sh Revision 86 - Directory Listing Modified Sun Jul 23 08:03:39 2017 UTC (6 years, 10 months ago) by tsscds improved llcalcs.sh gui Revision 85 - Directory Listing Modified Sun Jul 23 07:08:06 2017 UTC (6 years, 10 months ago) by tsscds gui for llcalcs.sh Revision 84 - Directory Listing Modified Sun Jul 23 05:37:56 2017 UTC (6 years, 10 months ago) by tsscds bug in conf_isomer_ts.sh and window.sh Revision 83 - Directory Listing Modified Sat Jul 22 19:27:45 2017 UTC (6 years, 10 months ago) by tsscds sqlite3 only for track. back to tslistll Revision 82 - Directory Listing Modified Fri Jul 21 20:36:05 2017 UTC (6 years, 10 months ago) by tsscds little changes Revision 81 - Directory Listing Modified Fri Jul 21 18:44:50 2017 UTC (6 years, 10 months ago) by tsscds sqlite installed for tslist Revision 80 - Directory Listing Modified Fri Jul 21 13:31:53 2017 UTC (6 years, 10 months ago) by tsscds g09 test in all HL scripts Revision 79 - Directory Listing Modified Fri Jul 21 13:19:41 2017 UTC (6 years, 10 months ago) by tsscds adding g09_test.dat Revision 78 - Directory Listing Modified Fri Jul 21 13:17:36 2017 UTC (6 years, 10 months ago) by tsscds test en TS.sh Revision 77 - Directory Listing Modified Fri Jul 21 13:09:41 2017 UTC (6 years, 10 months ago) by tsscds nada Revision 75 - Directory Listing Modified Tue Jul 18 08:06:33 2017 UTC (6 years, 10 months ago) by tsscds changes in FINAL and PRODs Revision 74 - Directory Listing Modified Tue Jul 18 08:05:54 2017 UTC (6 years, 10 months ago) by tsscds changes in FINAL and PRODs Revision 73 - Directory Listing Modified Mon Jul 17 19:14:22 2017 UTC (6 years, 10 months ago) by tsscds some small changes Revision 72 - Directory Listing Modified Mon Jul 17 15:53:45 2017 UTC (6 years, 10 months ago) by tsscds change in FINAL Revision 71 - Directory Listing Modified Mon Jul 17 14:47:58 2017 UTC (6 years, 10 months ago) by tsscds changes in finals Revision 70 - Directory Listing Modified Mon Jul 17 14:29:39 2017 UTC (6 years, 10 months ago) by tsscds little changes to final.sh Revision 69 - Directory Listing Modified Mon Jul 17 13:45:39 2017 UTC (6 years, 10 months ago) by tsscds llcalcs small change Revision 68 - Directory Listing Modified Mon Jul 17 13:18:44 2017 UTC (6 years, 10 months ago) by tsscds cp instead of ln -s in FINAL folder Revision 67 - Directory Listing Modified Mon Jul 17 12:57:12 2017 UTC (6 years, 10 months ago) by tsscds mistakes in rxn and RXN Revision 66 - Directory Listing Modified Mon Jul 17 12:36:21 2017 UTC (6 years, 10 months ago) by tsscds corrected minor mistakes Revision 65 - Directory Listing Modified Mon Jul 17 11:54:18 2017 UTC (6 years, 10 months ago) by tsscds little changes Revision 63 - Directory Listing Modified Mon Jul 17 10:57:58 2017 UTC (6 years, 10 months ago) by tsscds changed get_NM_g09_molden.sh Revision 62 - Directory Listing Modified Mon Jul 17 08:14:29 2017 UTC (6 years, 10 months ago) by tsscds FINAL.sh and dependencies Revision 61 - Directory Listing Modified Mon Jul 17 06:27:12 2017 UTC (6 years, 10 months ago) by tsscds new script to include conf_iso_ts Revision 60 - Directory Listing Modified Mon Jul 17 05:39:07 2017 UTC (6 years, 10 months ago) by tsscds new script to avoid dependencies on mop files Revision 59 - Directory Listing Modified Mon Jul 17 05:20:43 2017 UTC (6 years, 10 months ago) by tsscds little mistake in final.sh Revision 58 - Directory Listing Modified Sat Jul 15 06:44:07 2017 UTC (6 years, 10 months ago) by tsscds added to FINAL_LL_ folder name Revision 57 - Directory Listing Modified Sat Jul 15 05:43:40 2017 UTC (6 years, 10 months ago) by tsscds small change to utils.sh Revision 56 - Directory Listing Modified Sat Jul 15 05:36:09 2017 UTC (6 years, 10 months ago) by tsscds changing sel_mol Revision 55 - Directory Listing Modified Sat Jul 15 05:23:17 2017 UTC (6 years, 10 months ago) by tsscds changes in final.sh Revision 53 - Directory Listing Modified Fri Jul 14 20:33:40 2017 UTC (6 years, 10 months ago) by tsscds working on final.sh Revision 52 - Directory Listing Modified Fri Jul 14 18:22:45 2017 UTC (6 years, 10 months ago) by tsscds changes in get_NM_mopac.sh Revision 51 - Directory Listing Modified Fri Jul 14 15:23:16 2017 UTC (6 years, 10 months ago) by tsscds new stuff Revision 50 - Directory Listing Modified Fri Jul 14 14:30:34 2017 UTC (6 years, 10 months ago) by tsscds more changes in final.sh Revision 49 - Directory Listing Modified Fri Jul 14 13:29:49 2017 UTC (6 years, 10 months ago) by tsscds changes in final.sh Revision 48 - Directory Listing Modified Fri Jul 14 13:08:29 2017 UTC (6 years, 10 months ago) by tsscds working on final.sh Revision 47 - Directory Listing Modified Fri Jul 14 11:23:06 2017 UTC (6 years, 10 months ago) by tsscds reading molecule.xyz well Revision 46 - Directory Listing Modified Fri Jul 14 11:14:31 2017 UTC (6 years, 10 months ago) by tsscds changes in PRODs.sh Revision 44 - Directory Listing Modified Thu Jul 13 15:30:52 2017 UTC (6 years, 10 months ago) by tsscds Included Barnes suggesting of flock in tsscds.sh and format changes Revision 43 - Directory Listing Modified Fri Jun 30 13:51:02 2017 UTC (6 years, 11 months ago) by tsscds pequeño cambio en runTS.sh runMIN.sh runIRC.sh Revision 42 - Directory Listing Modified Fri Jun 30 05:09:21 2017 UTC (6 years, 11 months ago) by tsscds HLscripts modified to make g09 work ok in ft2 Revision 41 - Directory Listing Modified Wed Jun 28 18:26:45 2017 UTC (6 years, 11 months ago) by tsscds included plot_relevant.sh in llcalcs.sh Revision 40 - Directory Listing Modified Wed Jun 28 15:55:49 2017 UTC (6 years, 11 months ago) by tsscds more traps Revision 39 - Directory Listing Modified Wed Jun 28 15:36:50 2017 UTC (6 years, 11 months ago) by tsscds more traps Revision 38 - Directory Listing Modified Wed Jun 28 13:47:47 2017 UTC (6 years, 11 months ago) by tsscds Clean exit of scripts with traps Revision 37 - Directory Listing Modified Wed Jun 28 09:56:44 2017 UTC (6 years, 11 months ago) by tsscds more functions included in utils.sh Revision 36 - Directory Listing Modified Wed Jun 28 09:14:01 2017 UTC (6 years, 11 months ago) by tsscds nothing has been done Revision 35 - Directory Listing Modified Fri Jun 23 11:49:49 2017 UTC (6 years, 11 months ago) by tsscds define e0 correctly in tsscds.sh Revision 34 - Directory Listing Modified Thu Jun 22 16:29:19 2017 UTC (6 years, 11 months ago) by tsscds updated scripts Revision 33 - Directory Listing Modified Thu Jun 22 15:26:37 2017 UTC (6 years, 11 months ago) by tsscds more tmp files in the HL scripts Revision 32 - Directory Listing Modified Thu Jun 22 14:17:59 2017 UTC (6 years, 11 months ago) by tsscds files named as tmp* Revision 31 - Directory Listing Modified Thu Jun 22 13:05:03 2017 UTC (6 years, 11 months ago) by tsscds minor modifications Revision 30 - Directory Listing Modified Thu Jun 22 10:00:56 2017 UTC (6 years, 11 months ago) by tsscds SETUP to SOURCE and other stuff Revision 28 - Directory Listing Modified Thu Jun 22 07:41:32 2017 UTC (6 years, 11 months ago) by tsscds new changes to scripts Revision 27 - Directory Listing Modified Thu Jun 22 06:33:16 2017 UTC (6 years, 11 months ago) by tsscds updated some scripts Revision 25 - Directory Listing Modified Wed Jun 21 15:25:57 2017 UTC (6 years, 11 months ago) by tsscds more stuff into variables Revision 24 - Directory Listing Modified Wed Jun 21 11:34:40 2017 UTC (6 years, 11 months ago) by tsscds changed various scripts to keep on moving stuff from files to variables in bash Revision 23 - Directory Listing Modified Wed Jun 21 05:05:30 2017 UTC (6 years, 11 months ago) by tsscds temp now supports a range of T (in K) Revision 22 - Directory Listing Modified Tue Jun 20 16:11:39 2017 UTC (6 years, 11 months ago) by tsscds new stuff in variables Revision 21 - Directory Listing Modified Tue Jun 20 16:01:06 2017 UTC (6 years, 11 months ago) by tsscds putting stuff in variables instead of files in main script Revision 17 - Directory Listing Modified Tue Jun 20 13:53:04 2017 UTC (6 years, 11 months ago) by tsscds change in createthdist.sh Revision 12 - Directory Listing Modified Tue Jun 20 07:03:13 2017 UTC (6 years, 11 months ago) by baaden cambio de bin_SCRIPTS a dist_bin_SCRIPTS en scripts Revision 5 - Directory Listing Modified Mon Jun 19 13:48:24 2017 UTC (6 years, 11 months ago) by tsscds cambie ligeramente runGP.sh y runjob.sh Revision 4 - Directory Listing Modified Mon Jun 19 10:49:20 2017 UTC (6 years, 11 months ago) by baaden Copied from: bin revision 3 autoconfiscating mostly done Revision 2 - Directory Listing Modified Wed Jun 14 08:54:54 2017 UTC (6 years, 11 months ago) by tsscds Original Path: bin corregidos algunos bugs en kmc.sh KMC.sh y get_freq Revision 1 - Directory Listing Added Tue Jun 13 20:26:10 2017 UTC (6 years, 11 months ago) by baaden Original Path: bin the very fist check in
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Directory Listing