CVS log for ccp4/src/anisoanl.f

CVS log for ccp4/src/anisoanl.f
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Revision 1.29 / (view) - annotate - [select for diffs] , Thu Sep 24 17:26:27 2009 UTC (2 years, 7 months ago) by mdw
Branch: MAIN
CVS Tags: series-6_2-root, series-6_2, release-6_2_995, release-6_2_994, release-6_2_993, release-6_2_992, release-6_2_991, release-6_2_0, release-6_1_24, pre-merge-release-6_1_3, pre-merge-30_07_11, pre-merge-07_09_2010, post-merge-release-6_1_3, post-merge-30_07_11, post-merge-07_09_2010, branch-30_07_11, HEAD
Changes since 1.28: +4 -4 lines
Diff to previous 1.28

Ensure space in TLSOUT file, see bug #4026

Revision 1.28 / (view) - annotate - [select for diffs] , Thu Sep 24 17:19:08 2009 UTC (2 years, 7 months ago) by mdw
Branch: MAIN
Changes since 1.27: +6 -1 lines
Diff to previous 1.27

small fix for TLSIN files with blank lines

Revision 1.27 / (view) - annotate - [select for diffs] , Wed Sep 17 13:50:11 2008 UTC (3 years, 8 months ago) by gwin
Branch: MAIN
CVS Tags: series-6_1-root, series-6_1, release-6_1_3, release-6_1_2, release-6_1_13, release-6_1_1, release-6_1_0, pre_xia2_remove, pre-merge-20_4_2009, pre-merge-13_08_2009, post_merge-13_08_2009, post-merge-20_4_2009, merge-release_6_1_0, branch-merge-20_4_2009, branch-merge-13_08_2009, branch-merge-07_09_2010
Changes since 1.26: +18 -13 lines
Diff to previous 1.26

Patch from ClAuS for Array bounds - bug # 3347 - have applied the patch and
built: test with run-all example passed.

Revision 1.26 / (view) - annotate - [select for diffs] , Wed Jul 9 13:29:36 2008 UTC (3 years, 10 months ago) by nds65
Branch: MAIN
CVS Tags: pre-merge-6_0_99e
Changes since 1.25: +84 -66 lines
Diff to previous 1.25

update SVD algorithm

Revision 1.25 / (view) - annotate - [select for diffs] , Wed Sep 6 14:52:06 2006 UTC (5 years, 8 months ago) by mdw
Branch: MAIN
CVS Tags: series-6_0_99e-root, series-6_0_99e, series-6_0_99d-root, series-6_0_99d, pre-merge-6_0_99d, post-merge-6_0_99d, merge-5_8_2008
Changes since 1.24: +4 -1 lines
Diff to previous 1.24

add comment about Harata method of getting residual U

Revision 1.24 / (view) - annotate - [select for diffs] , Thu May 11 08:28:38 2006 UTC (6 years ago) by mdw
Branch: MAIN
Changes since 1.23: +5 -2 lines
Diff to previous 1.23

Added comment regarding bug 1679 follow-up query

Revision 1.22.2.1 / (view) - annotate - [select for diffs] , Wed May 10 09:09:11 2006 UTC (6 years ago) by mdw
Branch: release-6_0_patch
CVS Tags: release-6_0_2, merge-6_0_patch_240407, merge-6_0_patch_100907
Changes since 1.22: +20 -19 lines
Diff to previous 1.22 to next main 1.23

fixes from Norman
handling of ANISOU records in WRTXYZ hadn't been updated for MMDB
occupancies weren't consistently real

Revision 1.23 / (view) - annotate - [select for diffs] , Wed May 10 09:08:01 2006 UTC (6 years ago) by mdw
Branch: MAIN
Changes since 1.22: +20 -19 lines
Diff to previous 1.22

fixes from Norman
handling of ANISOU records in WRTXYZ hadn't been updated for MMDB
occupancies weren't consistently real

Revision 1.22 / (view) - annotate - [select for diffs] , Thu Nov 17 10:55:20 2005 UTC (6 years, 6 months ago) by mdw
Branch: MAIN
CVS Tags: release-6_0_1, release-6_0
Branch point for: release-6_0_patch
Changes since 1.21: +27 -2 lines
Diff to previous 1.21

Add check to RDXYZ to check for non-positive-definite Us,
and issue warning if found. Requested by Simon Newstead.

Revision 1.21 / (view) - annotate - [select for diffs] , Tue Sep 6 11:25:08 2005 UTC (6 years, 8 months ago) by mdw
Branch: MAIN
Changes since 1.20: +2 -2 lines
Diff to previous 1.20

update licence banners

Revision 1.20 / (view) - annotate - [select for diffs] , Thu Jun 3 14:24:09 2004 UTC (7 years, 11 months ago) by mdw
Branch: MAIN
CVS Tags: release-5_0_2, release-5_0_1_patch, release-5_0_1, pre_fft_swap, CCP4-auto
Changes since 1.19: +2 -71 lines
Diff to previous 1.19

remove unused CHECK_POSDEF_US cos of narky compilers

Revision 1.19 / (view) - annotate - [select for diffs] , Thu Jan 22 17:11:49 2004 UTC (8 years, 4 months ago) by mdw
Branch: MAIN
CVS Tags: release-5_0_binaries, release-5_0
Changes since 1.18: +8 -3 lines
Diff to previous 1.18

add new licence banner

Revision 1.18 / (view) - annotate - [select for diffs] , Wed Feb 19 11:00:15 2003 UTC (9 years, 3 months ago) by mdw
Branch: MAIN
Changes since 1.17: +10 -8 lines
Diff to previous 1.17

oops, correction to last change

Revision 1.17 / (view) - annotate - [select for diffs] , Tue Feb 18 17:08:58 2003 UTC (9 years, 3 months ago) by mdw
Branch: MAIN
Changes since 1.16: +10 -24 lines
Diff to previous 1.16

changes for new handling of ANISOU records

Revision 1.15.2.1 / (view) - annotate - [select for diffs] , Tue Jul 30 16:06:43 2002 UTC (9 years, 9 months ago) by awa
Branch: release-4_2_1_patch
CVS Tags: release-4_2_2
Changes since 1.15: +9 -3 lines
Diff to previous 1.15 to next main 1.16

some write statement changes from CV.

Revision 1.16 / (view) - annotate - [select for diffs] , Tue Jul 30 16:06:07 2002 UTC (9 years, 9 months ago) by awa
Branch: MAIN
Changes since 1.15: +9 -3 lines
Diff to previous 1.15

some write statement changes from CV

Revision 1.15 / (view) - annotate - [select for diffs] , Fri Jun 14 16:15:35 2002 UTC (9 years, 11 months ago) by ccb
Branch: MAIN
CVS Tags: release-4_2_1
Branch point for: release-4_2_1_patch
Changes since 1.14: +2 -2 lines
Diff to previous 1.14

trailing spaces take line length beyond 72 chars (CV)

Revision 1.14 / (view) - annotate - [select for diffs] , Mon Oct 1 08:26:20 2001 UTC (10 years, 7 months ago) by mdw
Branch: MAIN
CVS Tags: release-4_2
Changes since 1.13: +44 -10 lines
Diff to previous 1.13

In RIGIDBODY: bug fix for XYMIN
              LOGICAL WEIGHTED for calculation of DELTA
              first stab at scoring delta matrix

Revision 1.13 / (view) - annotate - [select for diffs] , Fri Aug 24 13:58:33 2001 UTC (10 years, 9 months ago) by mdw
Branch: MAIN
Changes since 1.12: +61 -13 lines
Diff to previous 1.12

Set sd = 0 when only one atom in residue for uplot

Revision 1.12 / (view) - annotate - [select for diffs] , Fri Aug 24 12:44:35 2001 UTC (10 years, 9 months ago) by mdw
Branch: MAIN
Changes since 1.11: +27 -8 lines
Diff to previous 1.11

Deal with alternate conformations

Revision 1.11 / (view) - annotate - [select for diffs] , Tue Apr 24 10:47:20 2001 UTC (11 years, 1 month ago) by mdw
Branch: MAIN
Changes since 1.10: +3 -1 lines
Diff to previous 1.10

Set program version explicitly

Revision 1.10 / (view) - annotate - [select for diffs] , Tue Apr 3 10:21:22 2001 UTC (11 years, 1 month ago) by mdw
Branch: MAIN
Changes since 1.9: +6 -4 lines
Diff to previous 1.9

Fix bug if there is only one atom per ps bin

Revision 1.9 / (view) - annotate - [select for diffs] , Tue Mar 20 15:31:48 2001 UTC (11 years, 2 months ago) by mdw
Branch: MAIN
Changes since 1.8: +21 -142 lines
Diff to previous 1.8

Added title keyword
Normalised delta matrix values
Removed eigen_asc to modlib

Revision 1.8 / (view) - annotate - [select for diffs] , Wed Feb 28 17:50:36 2001 UTC (11 years, 2 months ago) by mdw
Branch: MAIN
CVS Tags: release-4_1_1_patch, release-4_1_1
Changes since 1.7: +22 -16 lines
Diff to previous 1.7

Another last-minute change - plot TLS values rather than residuals.

Revision 1.7 / (view) - annotate - [select for diffs] , Wed Feb 28 09:18:42 2001 UTC (11 years, 2 months ago) by mdw
Branch: MAIN
Changes since 1.6: +20 -2 lines
Diff to previous 1.6

A check and some useful messages

Revision 1.6 / (view) - annotate - [select for diffs] , Fri Jan 19 17:26:15 2001 UTC (11 years, 4 months ago) by mdw
Branch: MAIN
CVS Tags: release-4_1
Changes since 1.5: +895 -4 lines
Diff to previous 1.5

Produce postscript plot for rigidbody option

Revision 1.5 / (view) - annotate - [select for diffs] , Thu Nov 23 16:29:04 2000 UTC (11 years, 6 months ago) by ccb
Branch: MAIN
Changes since 1.4: +5 -5 lines
Diff to previous 1.4

format statement corrections, and type correction

Revision 1.4 / (view) - annotate - [select for diffs] , Mon Nov 6 11:44:04 2000 UTC (11 years, 6 months ago) by mdw
Branch: MAIN
Changes since 1.3: +6 -6 lines
Diff to previous 1.3

"body" not "bond" !

Revision 1.3 / (view) - annotate - [select for diffs] , Mon Nov 6 11:31:09 2000 UTC (11 years, 6 months ago) by mdw
Branch: MAIN
Changes since 1.2: +10 -3 lines
Diff to previous 1.2

Increase MAXBIN and check it is not exceeded.

Revision 1.2 / (view) - annotate - [select for diffs] , Fri Nov 3 17:29:59 2000 UTC (11 years, 6 months ago) by mdw
Branch: MAIN
Changes since 1.1: +16 -13 lines
Diff to previous 1.1

New keyword DUBIns for rigidbody bins. Atom selection passed
to TLS file. DELTA is now a fraction of mean value.

Revision 1.1 / (view) - annotate - [select for diffs] , Mon Oct 30 17:26:59 2000 UTC (11 years, 6 months ago) by mdw
Branch: MAIN

MDW: new program from me!

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CVS log for ccp4/src/anisoanl.f

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