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baker_ts
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Add the examples from Baker's 1996 J. Comp. Chem. paper.
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2005-08-16 18:49:07 +00:00 |
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basis_set_exchange
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java code to dump data from bse.pnl.gov
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2017-03-20 22:44:33 +00:00 |
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basissets
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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contributors
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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distro-tools
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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dntmc
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Make bandit a mandatory test and fix some typos
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2021-10-30 02:42:13 +02:00 |
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doi
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Make bandit a mandatory test and fix some typos
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2021-10-30 02:11:52 +02:00 |
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doxygen
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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fde/freeze_thaw_example
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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git.nwchem
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branch check in release tarball creation [ci skip]
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2025-10-24 15:26:10 -07:00 |
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gprof2tree
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HvD: Update the ID: revision number thing.
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2015-08-24 19:24:06 +00:00 |
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hessian
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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ibm_sp@anl
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HTMLing READMES
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1996-04-17 20:40:29 +00:00 |
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ibm_sp@mhpcc
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SVN supports setting files executable bit. Good to get this right early.
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2009-04-16 21:01:48 +00:00 |
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javasupport
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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loadleveler
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fixed coupel of bugs when filename was supplied
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2000-12-05 01:35:02 +00:00 |
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mapointer_test
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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marat
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Make bandit a mandatory test and fix some typos
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2021-10-30 02:11:52 +02:00 |
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mkdocs
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mathjax updates [ci skip]
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2023-06-29 12:42:53 -07:00 |
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mov2asc
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remove source code and build system code associated with "SGI" macro
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2022-03-07 10:28:10 +02:00 |
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nqe
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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obsolete
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obsolete script [ci skip]
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2022-01-12 16:34:26 -08:00 |
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openmp_tests
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HvD: The status argument to send and recv calls is actually an array. This is fixed
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2017-01-25 01:36:58 +00:00 |
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parsers
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chmod [ci skip]
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2023-06-14 13:32:24 -07:00 |
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pbs
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remove DEC OS/F support
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2018-08-10 10:44:41 -07:00 |
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pdb_tools
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remove SGI_N32 (part of https://github.com/nwchemgit/nwchem/issues/537)
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2022-03-07 10:12:03 +02:00 |
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perf_tests
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correct comment about availability of AVX-512ERI
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2017-02-12 00:49:25 +00:00 |
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pseudopotentials
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HvD: Added SVN Id: tag and turned its expansion on.
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2011-11-05 06:53:49 +00:00 |
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python
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fix bandit text warnings
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2026-06-29 15:24:48 -07:00 |
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qmd_tools
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Make bandit a mandatory test and fix some typos
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2021-10-30 02:42:13 +02:00 |
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quasar
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website name [ci skip]
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2022-02-28 19:21:58 -08:00 |
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rasmolmovie
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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robodoc
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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rpm_spec_file
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website name [ci skip]
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2022-02-28 19:21:58 -08:00 |
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seetex
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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socrates
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HvD: Added SVN Id: tag and turned its expansion on.
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2011-11-05 06:53:49 +00:00 |
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solaris
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Added instruction for solaris 5.5 on fermi.emsl.pnl.gov
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1996-08-21 00:07:44 +00:00 |
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t3d@nersc
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Update a bit
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2000-11-01 23:28:28 +00:00 |
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validate
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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workstations
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HTMLing READMES
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1996-04-17 21:07:09 +00:00 |
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xeonphi
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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add_Id
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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add_Id_C
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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add_Id_Fortran
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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add_Id_Makefile
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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aix-renamer
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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da_rec_size.f
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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dbl2sngl_check
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script converted to bash
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2022-01-20 17:39:20 -08:00 |
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findconstfh.pl
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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getfiles.nwchem
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fix caching
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2026-02-27 17:57:32 -08:00 |
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getmem.nwchem
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fix no. of physical cpus on mac [ci skip]
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2022-03-18 15:54:41 -07:00 |
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latex_pretty_table.pl
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Best called from emacs with C-u ESC-|
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1995-07-18 23:30:13 +00:00 |
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smartlog
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Script that executes and parses output of cvs log command. Helpful
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2004-06-01 22:44:25 +00:00 |
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svn_expand_Id
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Fix bash shebangs: make /usr/bin/env find bash in paths
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2021-11-07 14:06:22 -08:00 |
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uncontract
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HvD: In the CVS era the $Id: $ tags in the source code files would
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2010-10-29 18:04:21 +00:00 |
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view_steps.pl
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Typo in output.
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1995-07-07 19:42:51 +00:00 |
