"Fossies" - the Fresh Open Source Software Archive

Contents of cp2k-4.1.tar.gz (5 Oct 19:03, 63539331 Bytes)

About: CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems (written in Fortran 2003).



Fossies path:  /linux/misc/cp2k-4.1.tar.gz   [Download | Doxygen docs | Diffs report | CLOC analysis]
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Alternative downloads:  tar.bz2 | tar.xz | zip
Member paths+URLs:  Shortened | full
Member sort order:  docs related (infos|docs|other) | original | size (top100) | date | path | name | ext | top-path files

Basic infos (README, FAQ, INSTALL, ChangeLog, ...):
-rw-r--r--      2400 2016-01-02 10:23 COPYRIGHT
-rw-r--r--     17320 2016-09-06 09:43 INSTALL
-rw-r--r--       734 2015-12-01 11:12 README
-rw-r--r--        10 2016-10-05 17:03 REVISION
-rw-r--r--       116 2014-10-07 17:54 data/README
-rw-r--r--     16265 2016-04-12 12:32 tools/svn2cl/ChangeLog
-rw-r--r--      4006 2013-08-09 19:44 tools/svn2cl/NEWS
-rw-r--r--      6266 2016-02-09 02:09 tools/toolchain/README_FOR_DEVELOPERS
-rw-r--r--      3033 2016-03-05 19:14 tools/toolchain/README_FOR_USERS
-rw-r--r--      1273 2008-12-09 12:11 tools/Fun2D/README
-rw-r--r--      2100 2016-04-12 12:32 tools/dbcsr_test/README
-rw-r--r--      2370 2015-02-26 23:33 tools/benchmark_plots/README
-rw-r--r--       400 2005-10-20 09:18 tools/manual/README
-rw-r--r--      4231 2013-08-09 19:44 tools/svn2cl/README
-rw-r--r--       476 2016-07-23 14:44 tools/minimax_tools/README
-rw-r--r--      5954 2014-12-02 11:15 tools/autotune_grid/README
-rw-r--r--       599 2009-05-13 15:01 tools/scriptmini/README
-rw-r--r--      6043 2014-06-16 17:11 tools/doxify/README
-rw-r--r--      8505 2015-11-06 14:57 tools/build_libsmm/README

Basic docs (manual pages, PDF-,HTML-,/doc/-files, ...):
-rw-r--r--      7115 2016-01-17 11:50 tools/manual/index.html
-rw-r--r--      8805 2013-08-09 19:44 tools/svn2cl/svn2cl.1

First 50 (from 5665) other files:
-rw-r--r--      3643 2014-09-17 09:20 tests/Fist/regtest-14/11_exvdw_11_exei.inp
-rw-r--r--      3574 2014-09-17 09:20 tests/Fist/regtest-14/11_exvdw_12_exei.inp
-rw-r--r--      3574 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei.inp
-rw-r--r--      3587 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei_list_1_check.inp
-rw-r--r--      3669 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei_list_1.inp
-rw-r--r--      3636 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei_list_2_c.inp
-rw-r--r--      3669 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei_list_2.inp
-rw-r--r--      3654 2014-09-17 09:20 tests/Fist/regtest-14/12_exvdw_12_exei_list_empty.inp
-rw-r--r--       892 2013-08-29 12:27 tests/Fist/regtest-1-3/1atom_multipole.inp
-rw-r--r--        50 2012-12-24 11:22 tests/QS/regtest-xc/1H2_PBE.inp
-rw-r--r--        53 2012-12-24 11:22 tests/QS/regtest-xc/1H2_PBEsol.inp
-rw-r--r--        83 2012-12-24 11:22 tests/QS/regtest-xc/1He_PBE0.inp
-rw-r--r--        82 2012-12-24 11:22 tests/QS/regtest-xc/1He_PBE.inp
-rw-r--r--        86 2012-12-24 11:22 tests/QS/regtest-xc/1He_PBEsol0.inp
-rw-r--r--        85 2012-12-24 11:22 tests/QS/regtest-xc/1He_PBEsol.inp
-rw-r--r--        83 2012-12-24 11:22 tests/QS/regtest-xc/1Ne_PBE0.inp
-rw-r--r--        82 2012-12-24 11:22 tests/QS/regtest-xc/1Ne_PBE.inp
-rw-r--r--        86 2012-12-24 11:22 tests/QS/regtest-xc/1Ne_PBEsol0.inp
-rw-r--r--        85 2012-12-24 11:22 tests/QS/regtest-xc/1Ne_PBEsol.inp
-rw-r--r--      1927 2010-12-28 14:33 tests/Fist/regtest-3/2d_pot.inp
-rw-r--r--      1844 2010-12-28 14:33 tests/NEB/regtest-1/2gly_B-NEB.inp
-rw-r--r--      1881 2010-12-28 14:33 tests/NEB/regtest-1/2gly_CI-NEB.inp
-rw-r--r--      1646 2015-07-14 10:45 tests/NEB/regtest-2/2gly_DIIS-DNEB.inp
-rw-r--r--      1665 2015-07-14 10:45 tests/NEB/regtest-2/2gly_DIIS-NEB.inp
-rw-r--r--      1679 2013-02-13 17:11 tests/NEB/regtest-2/2gly_DIIS-OEP-NEB.inp
-rw-r--r--      1635 2010-12-28 14:33 tests/NEB/regtest-2/2gly_DIIS-SD-2.inp
-rw-r--r--      1598 2010-12-28 14:33 tests/NEB/regtest-2/2gly_DIIS-SD-NEB.inp
-rw-r--r--      1668 2015-07-14 10:45 tests/NEB/regtest-2/2gly_DIIS-SM.inp
-rw-r--r--      1839 2010-12-28 14:33 tests/NEB/regtest-1/2gly_EB-NEB.inp
-rw-r--r--      2231 2009-11-10 01:00 tests/NEB/regtest-4/2gly_IT-NEB-CV.inp
-rw-r--r--      2251 2010-11-22 18:01 tests/NEB/regtest-4/2gly_IT-NEB-CV-res.inp
-rw-r--r--      1846 2010-12-28 14:33 tests/NEB/regtest-1/2gly_IT-NEB.inp
-rw-r--r--      1908 2009-11-10 01:00 tests/NEB/regtest-3/2gly_IT-NEB.inp
-rw-r--r--      1925 2010-11-22 18:01 tests/NEB/regtest-3/2gly_IT-NEB-res.inp
-rw-r--r--      2664 2010-12-28 14:33 tests/Fist/regtest-10/2gly_mtd_dprmsd.inp
-rw-r--r--      3241 2010-12-28 14:33 tests/Fist/regtest-10/2gly_mtd_rp_dp_rmsd.inp
-rw-r--r--      2664 2010-12-28 14:33 tests/Fist/regtest-10/2gly_mtd_rprmsd.inp
-rw-r--r--      1018 2010-01-25 18:24 tests/Fist/sample_pdb/2gly.pdb
-rw-r--r--      4827 2010-01-25 18:24 tests/Fist/sample_pot/2gly.pot
-rw-r--r--      3052 2010-01-25 18:24 tests/Fist/sample_psf/2gly.psf
-rw-r--r--      1902 2015-05-21 08:59 tests/QS/regtest-admm-dm/2H2O-BLOCKED-NONE_DM.inp
-rw-r--r--      1903 2015-05-21 08:59 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-BLOCKED.inp
-rw-r--r--      1914 2015-05-21 08:59 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-FULL.inp
-rw-r--r--      1899 2015-05-21 08:59 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-OFF.inp
-rw-r--r--      1278 2010-10-26 17:49 tests/QS/untested_inputs/2H2O_bsse.inp
-rw-r--r--      1292 2015-05-21 08:59 tests/QS/regtest-gpw-3/2H2O_bsse.inp
-rw-r--r--      1390 2015-05-21 08:59 tests/QS/regtest-gpw-3/2H2O_bsse_r.inp
-rw-r--r--       875 2015-05-21 08:59 tests/SE/regtest-2-2/2h2o_disp1.inp
-rw-r--r--       913 2015-05-21 08:59 tests/SE/regtest-2-2/2h2o_disp2.inp
-rw-r--r--      1068 2015-05-21 08:59 tests/SE/regtest-2-2/2h2o_disp3.inp
...

A hint: In order to limit the size of this page, in total 5615 archive member files - probably not "information" or "documentation" related - are omitted here. But all those files can be found in the complete docs-related index file or in the originally, by date, by pathname, by filename or by file extension sorted index files (roughly file size each: 1.1 MB).
   MD5 (cp2k-4.1.tar.gz): f9340b379e962cb62d436ce616bfc5b4
  SHA1 (cp2k-4.1.tar.gz): 96b30b67604f2dad8a23229d0fd33c7d4ddc1840
SHA256 (cp2k-4.1.tar.gz): 7c6c129ccfe390a8d8b5a13d8ded5502a31809b88dff6b8e7efd418e39c9405b

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