HvD: In the CVS era the $Id: $ tags in the source code files would

automatically be expanded to include useful information about the checkin (including the file's revision number). With the switch over to SVN this was lost because SVN only does this expansion if you explicitly ask for it (for every single file). I have added a script to the contrib directory that sets the appropriate property to get SVN to do this expansion. This script will make it easy to do this every time new source files are added. It is called svn_expand_Id, the script contains some comments that explain the issue and how it addresses this. This checkin sets this property for a subset of the relevant files (trying to commit all files at once failed with svn crashing). In future the script will only affect those files for which the property was not set before.
2026-07-21 06:25:21 -04:00 · 2010-10-29 18:04:21 +00:00 · 2010-10-29 18:04:21 +00:00 · 97f303e6f8
commit 97f303e6f8
parent 7155096845
1774 changed files with 1875 additions and 1869 deletions
--- a/2
+++ b/2
@ -1,5 +1,5 @@
 ====================================================
-$Id: INSTALL,v 1.88 2009-01-20 00:39:40 d3p307 Exp $
+$Id$
 ----------------------------------------------------

 GUIDE TO INSTALLING NWChem
--- a/INSTALL.binbuilds
+++ b/INSTALL.binbuilds
@ -1,7 +1,7 @@

 Guide to Installing NWChem Binary Builds
 ====================================================
-$Id: INSTALL.binbuilds,v 1.10 2004-02-12 22:32:33 edo Exp $
+$Id$
 ----------------------------------------------------

 INSTALLING NWCHEM FOR GENERAL SITE USE: 
--- a/QA/HOW-TO-RUN-TESTS
+++ b/QA/HOW-TO-RUN-TESTS
@ -1,4 +1,4 @@
- $Id: HOW-TO-RUN-TESTS,v 1.2 2001-01-29 19:51:48 windus Exp $
+ $Id$
 The Quality Assurance (QA) tests are designed to test most of
 the functionality of NWChem.  As such, it is useful to run at least
 some of the tests when first installing NWChem at a site.  It is
--- a/QA/domknwchemrc
+++ b/QA/domknwchemrc
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: domdtests,v 1.63 2008-12-07 19:26:52 d3j191 Exp $
+# $Id$
 #
 #---   backup the nwchemrc file
 #
--- a/QA/doqmmmtests.mpi
+++ b/QA/doqmmmtests.mpi
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: doqmmmtests.mpi,v 1.2 2005-12-16 02:42:22 marat Exp $
+# $Id$
 #
 #---   small tests
 ./runtests.mpi.unix procs $1 qmmm_grad0
--- a/QA/doqmtests
+++ b/QA/doqmtests
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: doqmtests,v 1.63 2008-12-07 19:26:52 jhammond Exp $
+# $Id$
 #
 #---   small tests
 set np = 1
--- a/QA/doqmtests.mpi
+++ b/QA/doqmtests.mpi
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: doqmtests.mpi,v 1.21 2007-10-25 16:28:32 d3p307 Exp $
+# $Id$
 #
 set np = 1
 if ($1 !="") then
--- a/QA/doqmtests.tcg5
+++ b/QA/doqmtests.tcg5
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: doqmtests.tcg5,v 1.7 2007-10-22 18:39:34 jhammond Exp $
+# $Id$
 #
 #---   small tests
 set np = 1
--- a/QA/dormnwchemrc
+++ b/QA/dormnwchemrc
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: domdtests,v 1.63 2008-12-07 19:26:52 d3j191 Exp $
+# $Id$
 #
 #---   restore original nwchemrc file
 #
--- a/QA/dotcetests
+++ b/QA/dotcetests
@ -1,6 +1,6 @@
 #!/bin/csh -f
 #
-# $Id: dotcetests,v 1.1 2008-01-16 20:22:05 jhammond Exp $
+# $Id$
 #
 set np = 1
 if ($1 !="") then
--- a/QA/nqetests
+++ b/QA/nqetests
@ -1,6 +1,6 @@
 #!/bin/csh
 #
-# $Id: nqetests,v 1.6 2006-02-03 19:50:22 bert Exp $
+# $Id$
 #
 #---   small tests
 cd ~/nwchem/QA/tests/auh2o
--- a/QA/nwparse.pl
+++ b/QA/nwparse.pl
@ -1,5 +1,5 @@
 #
-# $Id: nwparse.pl,v 1.18 2003-03-29 02:51:28 edo Exp $
+# $Id$
 #
 #
 # perl script to parse nwchem output files
--- a/QA/runtest.batch
+++ b/QA/runtest.batch
@ -1,6 +1,6 @@
 #!/bin/csh 
 #
-# $Id: runtest.batch,v 1.6 1997-10-13 21:17:40 d3j191 Exp $
+# $Id$
 #
 # Batch system based parallel and sequential execution of test jobs
 #
--- a/QA/tests/c60_ecp/c60_ecp.nw
+++ b/QA/tests/c60_ecp/c60_ecp.nw
@ -1,4 +1,4 @@
-# $Id: c60_ecp.nw,v 1.1 2003-04-11 01:19:11 edo Exp $
+# $Id$
 echo

 title "c60 with ECPs"
--- a/QA/tests/c60_ecp/c60_ecp.out
+++ b/QA/tests/c60_ecp/c60_ecp.out
@ -3,7 +3,7 @@


 ============================== echo of input deck ==============================
-# $Id: c60_ecp.nw,v 1.1 2003-04-11 01:19:11 edo Exp $
+# $Id$
 echo

 title "c60 with ECPs"
--- a/QA/tests/cytosine_ccsd/cytosine_ccsd.nw
+++ b/QA/tests/cytosine_ccsd/cytosine_ccsd.nw
@ -1,4 +1,4 @@
-# $Id: cytosine_ccsd.nw,v 1.3 2004-04-24 02:09:34 edo Exp $
+# $Id$
 start cytosine
 memory 1024 mb 

--- a/QA/tests/dft_cr2/dft_cr2.nw
+++ b/QA/tests/dft_cr2/dft_cr2.nw
@ -1,4 +1,4 @@
-# $Id: dft_cr2.nw,v 1.1 2006-01-07 01:15:49 edo Exp $
+# $Id$

 echo

--- a/QA/tests/dft_cr2/dft_cr2.out
+++ b/QA/tests/dft_cr2/dft_cr2.out
@ -3,7 +3,7 @@


 ============================== echo of input deck ==============================
-# $Id: dft_cr2.nw,v 1.1 2006-01-07 01:15:49 edo Exp $
+# $Id$

 echo

--- a/QA/tests/h2o_selci/h2o_selci.nw
+++ b/QA/tests/h2o_selci/h2o_selci.nw
@ -1,4 +1,4 @@
-# $Id: h2o_selci.nw,v 1.4 2003-04-16 22:49:19 edo Exp $
+# $Id$
 echo

 # Selected CI with perturbation correction (1 frozen core) geometry
--- a/QA/tests/h2o_selci/h2o_selci.out
+++ b/QA/tests/h2o_selci/h2o_selci.out
@ -10,7 +10,7 @@


 ============================== echo of input deck ==============================
-# $Id: h2o_selci.out,v 1.2 2003-04-16 20:23:20 edo Exp $
+# $Id$
 echo

 # Selected CI with perturbation correction (1 frozen core) geometry
--- a/QA/tests/h3tr1/README
+++ b/QA/tests/h3tr1/README
@ -1,4 +1,4 @@
-$Id: README,v 1.1 2002-02-14 00:35:35 windus Exp $
+$Id$
 This tests the DIRDYVTST capability.  It is not part of the doqmtests because
 nwparse.pl does not parse anything from the output file.  When the proper
 testing mechanisms are in place, this will be part of the automatic test suite.
--- a/QA/tests/hess_ch4/hess_ch4.out
+++ b/QA/tests/hess_ch4/hess_ch4.out
@ -8,7 +8,7 @@ echo
 start ch4

 # SCF geometry optimization and frequencies for CH4
-# $Id: hess_ch4.out,v 1.1 2003-04-07 21:00:32 edo Exp $
+# $Id$

 geometry units au
  c 0    0    0
--- a/QA/tests/oh3tr3/README
+++ b/QA/tests/oh3tr3/README
@ -1,4 +1,4 @@
-$Id: README,v 1.1 2002-02-14 00:35:47 windus Exp $
+$Id$
 This tests the DIRDYVTST capability.  It is not part of the doqmtests because
 nwparse.pl does not parse anything from the output file.  When the proper
 testing mechanisms are in place, this will be part of the automatic test suite.
--- a/QA/tests/sad_ch3hf/sad_ch3hf.nw
+++ b/QA/tests/sad_ch3hf/sad_ch3hf.nw
@ -1,7 +1,7 @@
 echo

 start ch3hf
-# $Id: sad_ch3hf.nw,v 1.1 2003-04-07 21:20:51 edo Exp $
+# $Id$

 title "Find the saddle point for CH3 + HF <-> CH4 + F"

--- a/QA/tests/sad_ch3hf/sad_ch3hf.out
+++ b/QA/tests/sad_ch3hf/sad_ch3hf.out
@ -6,7 +6,7 @@
 echo

 start ch3hf
-# $Id: sad_ch3hf.nw,v 1.1 2003-04-07 21:20:51 edo Exp $
+# $Id$

 title "Find the saddle point for CH3 + HF <-> CH4 + F"

--- a/contrib/Fixinclude
+++ b/contrib/Fixinclude
@ -1,6 +1,6 @@
 #!/bin/csh 
 # 
-# $Id: Fixinclude,v 1.4 1996-07-19 18:53:23 d3g681 Exp $
+# $Id$
 #
 # ! RJH ... This utility should no longer be necessary (10/95)
 #
--- a/contrib/aix-renamer
+++ b/contrib/aix-renamer
@ -2,7 +2,7 @@
 # aix-renamer (for NWChem)
 # Usage: make link |& aix-renamer > aix-ld-rename-switches
 #
-# $Id: aix-renamer,v 1.1 1996-05-26 20:51:14 gg502 Exp $
+# $Id$
 #
 # This script extract the undefined symbol error messages from an
 # attempt to link a mixed Fortran/C program compiled with -qextname and
--- a/contrib/basissets/Dyall/dyall_nradz
+++ b/contrib/basissets/Dyall/dyall_nradz
@ -1,4 +1,4 @@
-# $Id: dyall_nradz,v 1.1 2003-04-01 01:08:26 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nradz" SPHERICAL
  Ga  s
  2.2584837E-02  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_nratz
+++ b/contrib/basissets/Dyall/dyall_nratz
@ -1,4 +1,4 @@
-# $Id: dyall_nratz,v 1.1 2003-04-01 01:08:26 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nratz" SPHERICAL
  Ga  s
  1.7271569E-02  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_nrcdz
+++ b/contrib/basissets/Dyall/dyall_nrcdz
@ -1,4 +1,4 @@
-# $Id: dyall_nrcdz,v 1.1 2003-04-01 01:08:26 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nrcdz" SPHERICAL
  Ga  s
  1.3032191E+00  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_nrcpdz
+++ b/contrib/basissets/Dyall/dyall_nrcpdz
@ -1,4 +1,4 @@
-# $Id: dyall_nrcpdz,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nrcpdz" SPHERICAL
  Ga  f
  7.4554914E-01  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_nrctz
+++ b/contrib/basissets/Dyall/dyall_nrctz
@ -1,4 +1,4 @@
-# $Id: dyall_nrctz,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nrctz" SPHERICAL
  Ga  s
  4.4495278E+00  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_nrpvdzfi
+++ b/contrib/basissets/Dyall/dyall_nrpvdzfi
@ -1,4 +1,4 @@
-# $Id: dyall_nrpvdzfi,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nrpvdz(fi)" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall/dyall_nrpvtzfi
+++ b/contrib/basissets/Dyall/dyall_nrpvtzfi
@ -1,4 +1,4 @@
-# $Id: dyall_nrpvtzfi,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_nrpvtz(fi)" SPHERICAL
  Ga  s
  1.4096772E+07 -2.67078225918E-06  8.27587409142E-07 -3.15570907835E-07  7.33935352813E-08
--- a/contrib/basissets/Dyall/dyall_reladzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_reladzfi_sf_fw,v 1.2 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Ga_dyall_reladz(fi/sf/fw)" SPHERICAL
  Ga  s
  2.3477550E-02  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_reladzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_reladzfi_sf_lc,v 1.2 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Ga_dyall_reladz(fi/sf/lc)" SPHERICAL
  Ga  s
  2.3477550E-02  9.99999531172E-01
--- a/contrib/basissets/Dyall/dyall_reladzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_reladzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_reladzfi_sf_sc,v 1.2 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Ga_dyall_reladz(fi/sf/sc)" SPHERICAL
  Ga  s
  2.3477550E-02  9.99998593515E-01
--- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relaqzfi_sf_fw,v 1.1 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relaqz(fi/sf/fw)" SPHERICAL
  Hf  f
  5.4986052E-02  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relaqzfi_sf_lc,v 1.1 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relaqz(fi/sf/lc)" SPHERICAL
  Hf  f 
  5.4986052E-02  9.99996705967E-01
--- a/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relaqzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relaqzfi_sf_sc,v 1.1 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relaqz(fi/sf/sc)" SPHERICAL
  Hf  f 
  5.4986052E-02  9.99990117891E-01
--- a/contrib/basissets/Dyall/dyall_relatzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relatzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relatzfi_sf_sc,v 1.2 2004-02-18 21:58:58 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relatz(fi/sf/sc)" SPHERICAL
  Ga  s 
  1.7330197E-02  9.99998961788E-01
--- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relcdzfi_sf_fw,v 1.2 2004-02-18 23:33:47 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcdz(fi/sf/fw)" SPHERICAL
  Ga  s
  1.3690033E+00  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relcdzfi_sf_lc,v 1.2 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcdz(fi/sf/lc)" SPHERICAL
  Ga  s 
  1.3690033E+00  9.99972666126E-01
--- a/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relcdzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relcdzfi_sf_sc,v 1.2 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcdz(fi/sf/sc)" SPHERICAL
  Ga  s 
  1.3690033E+00  9.99917997631E-01
--- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relcpdzfi_sf_fw,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcpdz(fi/sf/fw)" SPHERICAL
  Ga  f
  7.2939434E-01  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relcpdzfi_sf_lc,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcpdz(fi/sf/lc)" SPHERICAL
  Ga  f 
  7.2939434E-01  9.99956314101E-01
--- a/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relcpdzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relcpdzfi_sf_sc,v 1.1 2003-04-01 01:08:27 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relcpdz(fi/sf/sc)" SPHERICAL
  Ga  f 
  7.2939434E-01  9.99868940395E-01
--- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relcqzfi_sf_fw,v 1.1 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relcqz(fi/sf/fw)" SPHERICAL
  Hf  s
  1.7889818E+00  1.00000000000E+00
--- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relcqzfi_sf_lc,v 1.1 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relcqz(fi/sf/lc)" SPHERICAL
  Hf  s 
  1.7889818E+00  9.99964282374E-01
--- a/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relcqzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relcqzfi_sf_sc,v 1.1 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relcqz(fi/sf/sc)" SPHERICAL
  Hf  s 
  1.7889818E+00  9.99892845846E-01
--- a/contrib/basissets/Dyall/dyall_relctzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relctzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relctzfi_sf_sc,v 1.2 2004-02-18 23:33:48 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relctz(fi/sf/sc)" SPHERICAL
  Ga  s 
  4.6490484E+00  9.99721619339E-01
--- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relpvdzfi_sf_fw,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvdz(fi/sf/fw)" SPHERICAL
  Ga  s
  2.5339378E+06  2.27494264941E-04 -7.24347944377E-05  2.77404574706E-05 -6.53930970462E-06
--- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvdzfi_sf_lc,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvdz(fi/sf/lc)" SPHERICAL
  Ga  s 
  2.5339378E+06  1.08023541913E-04 -3.43166430120E-05  1.31532731045E-05 -3.08693088580E-06
--- a/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relpvdzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvdzfi_sf_sc,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvdz(fi/sf/sc)" SPHERICAL
  Ga  s 
  2.5339378E+06  3.24638965618E-05 -1.02554132821E-05  3.93198344248E-06 -9.23027570672E-07
--- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relpvqzfi_sf_fw,v 1.1 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relpvqz(fi/sf/fw)" SPHERICAL
  Hf  s
  6.4780934E+07  3.04924106308E-04 -1.16497049609E-04  5.51797612336E-05 -2.69537621852E-05  1.06200771603E-05 -2.93165512157E-06
--- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvqzfi_sf_lc,v 1.1 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relpvqz(fi/sf/lc)" SPHERICAL
  Hf  s 
  6.4780934E+07  1.15732594175E-04 -4.35331707694E-05  2.05862685447E-05 -1.00484908749E-05  3.95935182609E-06 -1.09286086908E-06
--- a/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relpvqzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvqzfi_sf_sc,v 1.1 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Hf_dyall_relpvqz(fi/sf/sc)" SPHERICAL
  Hf  s 
  6.4780934E+07  2.96282360979E-06 -1.11187358532E-06  5.25594315675E-07 -2.56529189369E-07  1.01075005591E-07 -2.78984964847E-08
--- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw
+++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relpvtzfi_sf_fw,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvtz(fi/sf/fw)" SPHERICAL
  Ga  s
  5.5544596E+07  1.77144358863E-05 -5.67415007854E-06  2.17514556853E-06 -5.11137382950E-07
--- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc
+++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvtzfi_sf_lc,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvtz(fi/sf/lc)" SPHERICAL
  Ga  s 
  5.5544596E+07  6.06703470563E-06 -1.92372396207E-06  7.36415120384E-07 -1.72761255942E-07
--- a/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc
+++ b/contrib/basissets/Dyall/dyall_relpvtzfi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relpvtzfi_sf_sc,v 1.2 2004-02-17 16:45:43 mg201 Exp $
+# $Id$
 basis "Ga_dyall_relpvtz(fi/sf/sc)" SPHERICAL
  Ga  s 
  5.5544596E+07  4.33534424297E-07 -1.37330583214E-07  5.25759348233E-08 -1.23376472805E-08
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_fi_sf_fw,v 1.1 2002-01-02 19:11:06 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_fi_sf_fw" SPHERICAL
  H   s
  4.0200000E+02  2.76611905595E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_fi_sf_lc,v 1.1 2002-01-02 19:11:06 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_fi_sf_lc" SPHERICAL
  H   s
  4.0200000E+02  2.79716920746E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_fi_sf_sc,v 1.1 2002-01-02 19:11:06 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_fi_sf_sc" SPHERICAL
  H   s
  4.0200000E+02  2.79447478617E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_pt_sf_fw,v 1.1 2002-01-02 19:11:06 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_pt_sf_fw" SPHERICAL
  H   s
  4.0200000E+02  2.76611991779E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_pt_sf_lc,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_pt_sf_lc" SPHERICAL
  H   s
  4.0200000E+02  2.79717006163E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pv5z_pt_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pv5z_pt_sf_sc,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pv5z_pt_sf_sc" SPHERICAL
  H   s
  4.0200000E+02  2.79447563984E-04
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_fi_sf_fw" SPHERICAL
  H   s
  1.3010000E+01  1.96897750695E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_fi_sf_lc" SPHERICAL
  H   s
  1.3010000E+01  1.96890509879E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_fi_sf_sc" SPHERICAL
  H   s
  1.3010000E+01  1.96862065380E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_pt_sf_fw,v 1.1 2002-01-02 19:11:07 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_pt_sf_fw" SPHERICAL
  H   s
  1.3010000E+01  1.96897753121E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_pt_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_pt_sf_lc" SPHERICAL
  H   s
  1.3010000E+01  1.96890512305E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvdz_pt_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvdz_pt_sf_sc,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvdz_pt_sf_sc" SPHERICAL
  H   s
  1.3010000E+01  1.96862067897E-02
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_fi_sf_fw,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_fi_sf_fw" SPHERICAL
  H   s
  8.2640000E+01  2.00522654425E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_fi_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_fi_sf_lc" SPHERICAL
  H   s
  8.2640000E+01  2.00729302214E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_fi_sf_sc,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_fi_sf_sc" SPHERICAL
  H   s
  8.2640000E+01  2.00645648395E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_pt_sf_fw,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_pt_sf_fw" SPHERICAL
  H   s
  8.2640000E+01  2.00522667813E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_pt_sf_lc,v 1.1 2002-01-02 19:11:08 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_pt_sf_lc" SPHERICAL
  H   s
  8.2640000E+01  2.00729315577E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvqz_pt_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvqz_pt_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvqz_pt_sf_sc" SPHERICAL
  H   s
  8.2640000E+01  2.00645661753E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_fi_sf_fw,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_fi_sf_fw" SPHERICAL
  H   s
  3.3870000E+01  6.06899458871E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_fi_sf_lc,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_fi_sf_lc" SPHERICAL
  H   s
  3.3870000E+01  6.07012738588E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_fi_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_fi_sf_sc" SPHERICAL
  H   s
  3.3870000E+01  6.06858578179E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_fw
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_pt_sf_fw,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_pt_sf_fw" SPHERICAL
  H   s
  3.3870000E+01  6.06899476483E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_lc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_pt_sf_lc,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_pt_sf_lc" SPHERICAL
  H   s
  3.3870000E+01  6.07012756187E-03
--- a/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc
+++ b/contrib/basissets/Dyall_DMD/aug-cc-pvtz_pt_sf_sc
@ -1,4 +1,4 @@
-# $Id: aug-cc-pvtz_pt_sf_sc,v 1.1 2002-01-02 19:11:09 bert Exp $
+# $Id$
 basis "H_aug-cc-pvtz_pt_sf_sc" SPHERICAL
  H   s
  3.3870000E+01  6.06858595774E-03
--- a/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrapvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrapvdz_fi,v 1.1 2002-01-02 19:11:52 bert Exp $
+# $Id$
 basis "Ga_dyall_nrapvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrpcapvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrpcapvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $
+# $Id$
 basis "Ga_dyall_nrpcapvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrpcpvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrpcpvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $
+# $Id$
 basis "Ga_dyall_nrpcpvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrpvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrpvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $
+# $Id$
 basis "Ga_dyall_nrpvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrrcapvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrrcapvdz_fi,v 1.1 2002-01-02 19:11:53 bert Exp $
+# $Id$
 basis "Ga_dyall_nrrcapvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi
+++ b/contrib/basissets/Dyall_DMD/dyall_nrrcpvdz_fi
@ -1,4 +1,4 @@
-# $Id: dyall_nrrcpvdz_fi,v 1.1 2002-01-02 19:11:54 bert Exp $
+# $Id$
 basis "Ga_dyall_nrrcpvdz_fi" SPHERICAL
  Ga  s
  8.3916211E+05  1.03495115075E-04 -3.20139719090E-05  1.22362508284E-05 -2.84907859364E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relapvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:54 bert Exp $
+# $Id$
 basis "Ga_dyall_relapvdz_fi_sf_fw" SPHERICAL
  Ga  s
  2.5339378E+06  2.27494264941E-04 -7.24347944377E-05  2.77404574706E-05 -6.53930970462E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relapvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:54 bert Exp $
+# $Id$
 basis "Ga_dyall_relapvdz_fi_sf_lc" SPHERICAL
  Ga  s
  2.5339378E+06  1.08023541913E-04 -3.43166430120E-05  1.31532731045E-05 -3.08693088580E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/dyall_relapvdz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relapvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:54 bert Exp $
+# $Id$
 basis "Ga_dyall_relapvdz_fi_sf_sc" SPHERICAL
  Ga  s
  2.5339378E+06  3.24638965618E-05 -1.02554132821E-05  3.93198344248E-06 -9.23027570672E-07
--- a/contrib/basissets/Dyall_DMD/dyall_reldz_aug
+++ b/contrib/basissets/Dyall_DMD/dyall_reldz_aug
@ -1,4 +1,4 @@
-# $Id: dyall_reldz_aug,v 1.1 2002-01-02 19:11:55 bert Exp $
+# $Id$
 basis "Ga_dyall_reldz_aug" SPHERICAL
  Ga  s
  2.3477550E-02  1.00000000000E+00
--- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relpcapvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:55 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcapvdz_fi_sf_fw" SPHERICAL
  Ga  s
  2.5339378E+06  2.27494264941E-04 -7.24347944377E-05  2.77404574706E-05 -6.53930970462E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relpcapvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:55 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcapvdz_fi_sf_lc" SPHERICAL
  Ga  s
  2.5339378E+06  1.08023541913E-04 -3.43166430120E-05  1.31532731045E-05 -3.08693088580E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcapvdz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relpcapvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:55 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcapvdz_fi_sf_sc" SPHERICAL
  Ga  s
  2.5339378E+06  3.24638965618E-05 -1.02554132821E-05  3.93198344248E-06 -9.23027570672E-07
--- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_fw
@ -1,4 +1,4 @@
-# $Id: dyall_relpcpvdz_fi_sf_fw,v 1.1 2002-01-02 19:11:55 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcpvdz_fi_sf_fw" SPHERICAL
  Ga  s
  2.5339378E+06  2.27494264941E-04 -7.24347944377E-05  2.77404574706E-05 -6.53930970462E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_lc
@ -1,4 +1,4 @@
-# $Id: dyall_relpcpvdz_fi_sf_lc,v 1.1 2002-01-02 19:11:56 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcpvdz_fi_sf_lc" SPHERICAL
  Ga  s 
  2.5339378E+06  1.08023541913E-04 -3.43166430120E-05  1.31532731045E-05 -3.08693088580E-06
--- a/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc
+++ b/contrib/basissets/Dyall_DMD/dyall_relpcpvdz_fi_sf_sc
@ -1,4 +1,4 @@
-# $Id: dyall_relpcpvdz_fi_sf_sc,v 1.1 2002-01-02 19:11:56 bert Exp $
+# $Id$
 basis "Ga_dyall_relpcpvdz_fi_sf_sc" SPHERICAL
  Ga  s 
  2.5339378E+06  3.24638965618E-05 -1.02554132821E-05  3.93198344248E-06 -9.23027570672E-07
--- a/Show more
+++ b/Show more