CVS log for ccp4/src/lsqkab.f |
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Revision
1.52
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, Fri Mar 13 14:52:21 2009 UTC (3 years, 2 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-20_4_2009,
pre-merge-13_08_2009,
pre-merge-07_09_2010,
post_merge-13_08_2009,
post-merge-release-6_1_3,
post-merge-30_07_11,
post-merge-20_4_2009,
post-merge-07_09_2010,
branch-30_07_11,
HEAD
Changes since 1.51: +14 -14 lines
Diff to previous 1.51
Changes for 2-char chain names, see #2721
Warning - I have not done hybrid36 yet!
Revision
1.51
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, Thu Apr 10 08:58:37 2008 UTC (4 years, 1 month ago) by nds65
Branch:
MAIN
CVS Tags:
series-6_1-root,
series-6_1,
series-6_0_99e-root,
series-6_0_99e,
series-6_0_99d-root,
series-6_0_99d,
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-6_0_99e,
pre-merge-6_0_99d,
post-merge-6_0_99d,
merge-release_6_1_0,
merge-5_8_2008,
branch-merge-20_4_2009,
branch-merge-13_08_2009,
branch-merge-07_09_2010
Changes since 1.50: +2 -1 lines
Diff to previous 1.50
C and O atoms were missing from rms error calculation (EJD).
Revision
1.50
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, Wed Apr 2 13:36:05 2008 UTC (4 years, 1 month ago) by rmk65
Branch:
MAIN
Changes since 1.49: +3 -1 lines
Diff to previous 1.49
Patch from Claus fixing intel rounding error bug when calculating sqrt. Bugzilla #2941
Revision
1.49
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, Tue Feb 26 14:13:33 2008 UTC (4 years, 2 months ago) by fr45
Branch:
MAIN
Changes since 1.48: +2 -2 lines
Diff to previous 1.48
corrected one missing coma... D'oh!
Revision
1.48
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, Mon Feb 25 15:01:46 2008 UTC (4 years, 2 months ago) by fr45
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MAIN
Changes since 1.47: +26 -13 lines
Diff to previous 1.47
Applying clemens vorhein's patches
Revision
1.47
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, Wed Jun 27 08:19:29 2007 UTC (4 years, 10 months ago) by nds65
Branch:
MAIN
Changes since 1.46: +2 -2 lines
Diff to previous 1.46
Atom name comparison donw on 4 characters instead of 3 (Bug 2466).
Revision
1.46
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, Wed Jun 6 17:14:17 2007 UTC (4 years, 11 months ago) by rmk65
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MAIN
Changes since 1.45: +11 -13 lines
Diff to previous 1.45
Some stdout output corrections from Eleanor
Revision
1.45
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, Wed Oct 4 11:39:52 2006 UTC (5 years, 7 months ago) by mdw
Branch:
MAIN
Changes since 1.44: +4 -2 lines
Diff to previous 1.44
MDW: add helpful diagnostic
Revision
1.42.2.2
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, Fri Sep 29 15:51:36 2006 UTC (5 years, 7 months 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 1.42.2.1: +2 -2 lines
Diff to previous 1.42.2.1
to branch point 1.42
to next main 1.43
loggraph column correction from EJD
Revision
1.44
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, Fri Sep 29 15:50:32 2006 UTC (5 years, 7 months ago) by mdw
Branch:
MAIN
Changes since 1.43: +2 -2 lines
Diff to previous 1.43
loggraph column correction from EJD
Revision
1.43
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, Tue Sep 26 13:59:16 2006 UTC (5 years, 7 months ago) by ccb
Branch:
MAIN
Changes since 1.42: +15 -5 lines
Diff to previous 1.42
bug 1556, short circuit ANGFIX routine for case ALPHA=BETA=GAMMA=CHI=0.0
Revision
1.42.2.1
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, Tue Sep 26 13:58:25 2006 UTC (5 years, 7 months ago) by ccb
Branch:
release-6_0_patch
Changes since 1.42: +14 -4 lines
Diff to previous 1.42
bug 1556, short circuit ANGFIX routine for case ALPHA=BETA=GAMMA=CHI=0.0
Revision
1.42
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, Tue Sep 6 11:25:15 2005 UTC (6 years, 8 months ago) by mdw
Branch:
MAIN
CVS Tags:
release-6_0_1,
release-6_0
Branch point for:
release-6_0_patch
Changes since 1.41: +2 -2 lines
Diff to previous 1.41
update licence banners
Revision
1.40.4.1
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, Tue Aug 10 10:01:55 2004 UTC (7 years, 9 months ago) by pjx
Branch:
release-5_0_1_patch
Changes since 1.40: +16 -2 lines
Diff to previous 1.40
to next main 1.41
S/r ANGFIX: fix to incorrect calculation of direction cosines when the
rotation axis is parallel to z (bug #719).
Revision
1.41
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, Mon Aug 9 15:28:53 2004 UTC (7 years, 9 months ago) by pjx
Branch:
MAIN
CVS Tags:
pre_fft_swap
Changes since 1.40: +16 -2 lines
Diff to previous 1.40
S/r ANGFIX: fix to incorrect calculation of direction cosines when the
rotation axis is parallel to z (bug #719).
Revision
1.40
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, Fri Jan 23 17:15:33 2004 UTC (8 years, 4 months ago) by mdw
Branch:
MAIN
CVS Tags:
release-5_0_binaries,
release-5_0_2,
release-5_0_1,
release-5_0,
CCP4-auto
Branch point for:
release-5_0_1_patch
Changes since 1.39: +10 -4 lines
Diff to previous 1.39
add licence banners
Revision
1.39
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, Wed Jan 14 15:40:14 2004 UTC (8 years, 4 months ago) by ccb
Branch:
MAIN
Changes since 1.38: +5 -2 lines
Diff to previous 1.38
changes from Clemens
Revision
1.38
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, Wed Mar 5 17:49:07 2003 UTC (9 years, 2 months ago) by ccb
Branch:
MAIN
Changes since 1.37: +5 -5 lines
Diff to previous 1.37
Test for IPRRMS=1 before writing, otherwise the file will not have been
opened
Revision
1.37
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, Fri Jan 10 09:40:26 2003 UTC (9 years, 4 months ago) by mdw
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MAIN
Changes since 1.36: +3 -3 lines
Diff to previous 1.36
correct previous change
Revision
1.36
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, Wed Jan 8 15:16:56 2003 UTC (9 years, 4 months ago) by awa
Branch:
MAIN
Changes since 1.35: +3 -1 lines
Diff to previous 1.35
explanatory notes - trivial
Revision
1.35
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, Fri Aug 30 14:05:30 2002 UTC (9 years, 8 months ago) by pjx
Branch:
MAIN
Changes since 1.34: +6 -4 lines
Diff to previous 1.34
PRE: increased NATOM to 40000, NRS to 13999.
Revision
1.34
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, Fri Jun 14 15:29:32 2002 UTC (9 years, 11 months ago) by ccb
Branch:
MAIN
CVS Tags:
release-4_2_2,
release-4_2_1_patch,
release-4_2_1
Changes since 1.33: +2 -2 lines
Diff to previous 1.33
additonal XYZOUTs
Revision
1.33
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, Tue Nov 27 14:46:08 2001 UTC (10 years, 5 months ago) by awa
Branch:
MAIN
CVS Tags:
release-4_2
Changes since 1.32: +58 -20 lines
Diff to previous 1.32
Kevin want the two XYZIN files to reglect the "FIXED" and
MOVING" terminology of the GUI. So now they can be assigned to XYZINF and XYZINM
Revision
1.32
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, Fri Jan 19 11:25:33 2001 UTC (11 years, 4 months ago) by awa
Branch:
MAIN
CVS Tags:
release-4_1_1_patch,
release-4_1_1,
release-4_1
Changes since 1.31: +9 -2 lines
Diff to previous 1.31
RMSTAB from lsqkab.f should be plottable.. ejd
Revision
1.31
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, Tue Jan 9 07:55:33 2001 UTC (11 years, 4 months ago) by pjx
Branch:
MAIN
Changes since 1.30: +2 -2 lines
Diff to previous 1.30
Minor fix from EJD.
Revision
1.30
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, Mon Oct 2 07:59:12 2000 UTC (11 years, 7 months ago) by ccb
Branch:
MAIN
Changes since 1.29: +9 -9 lines
Diff to previous 1.29
Change from Eleanor to retain the altcode
Revision
1.29
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, Mon Aug 14 08:20:18 2000 UTC (11 years, 9 months ago) by awa
Branch:
MAIN
Changes since 1.28: +18 -3 lines
Diff to previous 1.28
EJD: It would help if the centroids were also given in fractional cds..
Revision
1.28
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, Fri Jun 23 14:07:45 2000 UTC (11 years, 11 months ago) by ccb
Branch:
MAIN
Changes since 1.27: +17 -11 lines
Diff to previous 1.27
Changes from Eleanor.
Allow output of atoms with OCC=0.0, NRES increased to 6999,
correction of Biso output.
Revision
1.27
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, Mon Apr 3 16:48:52 2000 UTC (12 years, 1 month ago) by ccb
Branch:
MAIN
Changes since 1.26: +2 -2 lines
Diff to previous 1.26
Unprotected assign for TITLE corrected
Revision
1.26
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, Mon Nov 29 12:57:06 1999 UTC (12 years, 5 months ago) by awa
Branch:
MAIN
CVS Tags:
release-4_0_1,
release-4_0
Changes since 1.25: +12 -10 lines
Diff to previous 1.25
some changes from ejd
Revision
1.25
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, Tue Nov 9 11:05:09 1999 UTC (12 years, 6 months ago) by awa
Branch:
MAIN
Changes since 1.24: +5 -1 lines
Diff to previous 1.24
preserve altcod
Revision
1.24
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, Thu Oct 21 08:27:43 1999 UTC (12 years, 7 months ago) by awa
Branch:
MAIN
Changes since 1.23: +12 -2 lines
Diff to previous 1.23
not sure changes done by someone in may. but look like checks.
Revision
1.23
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, Fri Mar 19 10:29:10 1999 UTC (13 years, 2 months ago) by mdw
Branch:
MAIN
CVS Tags:
release-3_5_1
Changes since 1.22: +52 -29 lines
Diff to previous 1.22
EJD: Changing s/r EIGEN to double precision.
Some more output.
Revision
1.22
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, Thu Feb 18 13:34:51 1999 UTC (13 years, 3 months ago) by pjx
Branch:
MAIN
CVS Tags:
release-3_5
Changes since 1.21: +2 -2 lines
Diff to previous 1.21
Minor format change from EJD.
Revision
1.21
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, Wed Jan 13 16:01:46 1999 UTC (13 years, 4 months ago) by awa
Branch:
MAIN
Changes since 1.20: +5 -5 lines
Diff to previous 1.20
small formatt change from ejd
Revision
1.20
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, Mon Nov 23 14:34:42 1998 UTC (13 years, 6 months ago) by awa
Branch:
MAIN
Changes since 1.19: +56 -21 lines
Diff to previous 1.19
changes from ejd. removal of scatter plot by default - now needs keyword
Revision
1.19
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, Mon Nov 23 11:43:04 1998 UTC (13 years, 6 months ago) by awa
Branch:
MAIN
Changes since 1.18: +7 -7 lines
Diff to previous 1.18
EJD changes to make fitting 3 atoms together work properly
Revision
1.18
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, Tue Jul 7 12:53:47 1998 UTC (13 years, 10 months ago) by awa
Branch:
MAIN
Changes since 1.17: +37 -3 lines
Diff to previous 1.17
Will now record Ter cards on reading pdb file and write them out in the correct place:
To fix: only ter will be writen out and not the whole record if there was more
Revision
1.17
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, Mon Jan 5 16:39:23 1998 UTC (14 years, 4 months ago) by awa
Branch:
MAIN
CVS Tags:
release-3_4_1,
release-3_4
Changes since 1.16: +10 -1 lines
Diff to previous 1.16
ejd : fix to initialise vars.
Revision
1.16
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, Tue Sep 9 09:03:18 1997 UTC (14 years, 8 months ago) by acr
Branch:
MAIN
CVS Tags:
release-3_3
Changes since 1.15: +34 -42 lines
Diff to previous 1.15
Yet more changes to RWBROOK.
Revision
1.15
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, Fri Jul 11 09:04:21 1997 UTC (14 years, 10 months ago) by acr
Branch:
MAIN
Changes since 1.14: +3 -1 lines
Diff to previous 1.14
New rwbrook stuff added.
Revision
1.14
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, Wed Jul 9 16:31:55 1997 UTC (14 years, 10 months ago) by acr
Branch:
MAIN
Changes since 1.13: +251 -218 lines
Diff to previous 1.13
added rwbrook stuff.
Revision
1.13
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, Tue Jun 11 13:20:04 1996 UTC (15 years, 11 months ago) by acr
Branch:
MAIN
CVS Tags:
release-3_2
Changes since 1.12: +7 -9 lines
Diff to previous 1.12
Tidying.
Revision
1.12
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, Thu Apr 25 13:22:23 1996 UTC (16 years, 1 month ago) by acr
Branch:
MAIN
CVS Tags:
release-3_1,
release-3_0
Changes since 1.11: +5 -5 lines
Diff to previous 1.11
make Hol. char on single line.
Revision
1.11
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, Fri Jun 3 15:32:46 1994 UTC (17 years, 11 months ago) by fx
Branch:
MAIN
CVS Tags:
release-2_9,
release-2_8,
release-2_7,
release-2_15,
release-2_14,
release-2_13,
release-2_12,
release-2_11,
release-2_10,
branch-2_8
Changes since 1.10: +1 -9 lines
Diff to previous 1.10
Sanitise keyword-handling to allow leading whitespace.
Revision
1.10
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, Thu Mar 31 10:12:21 1994 UTC (18 years, 1 month ago) by fx
Branch:
MAIN
CVS Tags:
release-2_6,
release-2_5,
release-2_4,
release-2_3
Changes since 1.9: +9 -9 lines
Diff to previous 1.9
EJD: dimensions increase
Revision
1.9
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, Wed Mar 30 16:00:16 1994 UTC (18 years, 1 month ago) by fx
Branch:
MAIN
Changes since 1.8: +5 -10 lines
Diff to previous 1.8
avoid unreachable code, minor tidy
Revision
1.8.4.1
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, Tue Jan 4 19:22:34 1994 UTC (18 years, 4 months ago) by fx
Branch:
york-2_2
Changes since 1.8: +1 -1 lines
Diff to previous 1.8
to next main 1.9
version pulled straight from york
Revision
1.8
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, Wed Jul 28 19:42:37 1993 UTC (18 years, 10 months ago) by fx
Branch:
MAIN
CVS Tags:
release-2_2_4,
release-2_2_3,
release-2_2_2,
release-2_2_1,
release-2_2_0,
release-2_2,
branch-2_2
Branch point for:
york-2_2
Changes since 1.7: +53 -12 lines
Diff to previous 1.7
EJD: Now gives translation vectors in As and fractions of cell edge.
Revision
1.7
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, Mon Nov 9 18:45:21 1992 UTC (19 years, 6 months ago) by fx
Branch:
MAIN
Changes since 1.6: +5 -5 lines
Diff to previous 1.6
EJD: clean up output
Revision
1.5.2.1
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, Wed Sep 23 13:54:28 1992 UTC (19 years, 8 months ago) by fx
Branch:
release-2_1_1
Changes since 1.5: +14 -6 lines
Diff to previous 1.5
to next main 1.6
*** empty log message ***
Revision
1.6
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, Mon Sep 21 12:07:30 1992 UTC (19 years, 8 months ago) by fx
Branch:
MAIN
CVS Tags:
release-2_1_7,
release-2_1_6,
release-2_1_5,
release-2_1_4,
release-2_1_3,
release-2_1_2,
patched-at-2_1_1
Changes since 1.5: +14 -6 lines
Diff to previous 1.5
EJD fixed uninitialised vars etc.
Revision
1.5
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, Fri Sep 4 19:16:59 1992 UTC (19 years, 8 months ago) by fx
Branch:
MAIN
CVS Tags:
release-2_1
Branch point for:
release-2_1_1
Changes since 1.4: +11 -7 lines
Diff to previous 1.4
from LMB: put ccperr for goto 510
and removed statement 510
program was just crashing as it always hit line 510
Revision
1.4
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, Wed Aug 12 14:19:40 1992 UTC (19 years, 9 months ago) by fx
Branch:
MAIN
CVS Tags:
sep_1_92
Changes since 1.3: +7 -11 lines
Diff to previous 1.3
undefined varibales fixed by EJD
Revision
1.3
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, Tue Aug 11 15:38:50 1992 UTC (19 years, 9 months ago) by fx
Branch:
MAIN
Changes since 1.2: +3 -3 lines
Diff to previous 1.2
fixed inconsistent-length common, but has unitialised variables which
need fixing
Revision
1.2
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, Tue Aug 11 15:06:09 1992 UTC (19 years, 9 months ago) by fx
Branch:
MAIN
Changes since 1.1: +73 -49 lines
Diff to previous 1.1
from york -- changes seem to have been missed
Revision
1.1.1.1
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(vendor branch)
, Mon May 18 19:13:03 1992 UTC (20 years ago) by ccp4
Branch:
ccp4-suite
Changes since 1.1: +0 -0 lines
Diff to previous 1.1
Roughly correposnds to first `official' release of MTZ version for un*x
and VMS around 14--15/5/92.
Revision
1.1
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, Mon May 18 19:13:02 1992 UTC (20 years ago) by ccp4
Branch:
MAIN
Initial revision
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