Log of /trunk/scripts/sel_mol.sh

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Revision 299 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Wed Dec 12 20:54:58 2018 UTC (5 years, 6 months ago) by tsscds
File length: 3597 byte(s)
Diff to previous 279

multiple_minima option added

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Revision 279 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Wed Jun 27 20:30:08 2018 UTC (5 years, 11 months ago) by baaden
File length: 3574 byte(s)
Diff to previous 230

move to trunk 1

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Revision 230 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Tue Dec 5 12:25:36 2017 UTC (6 years, 6 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3574 byte(s)
Diff to previous 229

supressed min0 keyword

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Revision 229 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Mon Dec 4 18:49:13 2017 UTC (6 years, 6 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3480 byte(s)
Diff to previous 228

sel_mol

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Revision 228 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Mon Dec 4 17:48:33 2017 UTC (6 years, 6 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3328 byte(s)
Diff to previous 183

added min0 keyword

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Revision 183 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Wed Oct 11 06:58:30 2017 UTC (6 years, 8 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3215 byte(s)
Diff to previous 141

en=100 now

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Revision 141 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Mon Aug 14 13:34:38 2017 UTC (6 years, 10 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3214 byte(s)
Diff to previous 119

simplified input

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Revision 119 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Fri Aug 4 13:23:15 2017 UTC (6 years, 10 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 3000 byte(s)
Diff to previous 106

little changes

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Revision 106 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Fri Aug 4 06:03:16 2017 UTC (6 years, 10 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2860 byte(s)
Diff to previous 89

new seed for srand and symm changed to avoid overprinting

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Revision 89 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Mon Jul 24 14:41:08 2017 UTC (6 years, 10 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2725 byte(s)
Diff to previous 56

sqlite3 employed instead of rxyz at ll completed

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Revision 56 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Sat Jul 15 05:36:09 2017 UTC (6 years, 11 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2588 byte(s)
Diff to previous 55

changing sel_mol

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Revision 55 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Sat Jul 15 05:23:17 2017 UTC (6 years, 11 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2396 byte(s)
Diff to previous 38

changes in final.sh

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Revision 38 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Wed Jun 28 13:47:47 2017 UTC (6 years, 11 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2396 byte(s)
Diff to previous 25

Clean exit of scripts with traps

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Revision 25 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Wed Jun 21 15:25:57 2017 UTC (6 years, 11 months ago) by tsscds
Original Path: scripts/sel_mol.sh
File length: 2394 byte(s)
Diff to previous 4

more stuff into variables

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Revision 4 - (view) (download) (as text) (annotate) - [select for diffs]
Modified Mon Jun 19 10:49:20 2017 UTC (6 years, 11 months ago) by baaden
Original Path: scripts/sel_mol.sh
File length: 2368 byte(s)
Diff to previous 1

autoconfiscating mostly done

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Revision 1 - (view) (download) (as text) (annotate) - [select for diffs]
Added Tue Jun 13 20:26:10 2017 UTC (7 years ago) by baaden
Original Path: bin/sel_mol.sh
File length: 2368 byte(s)

the very fist check in