"Fossies" - the Fresh Open Source Software Archive

Contents of cp2k-7.1.tar.bz2 (23 Dec 21:24, 69666022 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 downloads: /linux/misccp2k-7.1.tar.bz2  (tar.gz|tar.xz|zip)
Fossies services: CLOC analysis
Original URL: https://github.com/cp2k/cp2k/releases/download/v7.1.0/cp2k-7.1.tar.bz2
Home page: https://www.cp2k.org/
VirusTotal check: Ok
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 2019-12-23 21:11 COPYRIGHT
-rw-r--r--       21352 2019-12-23 21:11 INSTALL.md
-rw-r--r--       18092 2019-12-23 21:11 LICENSE
-rw-r--r--        2634 2019-12-23 21:11 README.md
-rw-r--r--          12 2019-12-23 21:11 REVISION
-rw-r--r--         170 2019-12-23 21:11 exts/README.md
-rw-r--r--         173 2019-12-23 21:11 src/README.md
-rw-r--r--        3577 2019-12-23 21:11 benchmarks/README.md
-rw-r--r--        6304 2019-12-23 21:11 tools/toolchain/README_FOR_DEVELOPERS.md
-rw-r--r--        3134 2019-12-23 21:11 tools/toolchain/README_FOR_USERS.md
-rw-r--r--        1060 2019-12-23 21:11 benchmarks/QS_ot_ls/README.md
-rw-r--r--       16444 2019-12-23 21:11 benchmarks/QS_stmv/README.md
-rw-r--r--        2367 2019-12-23 21:11 tools/benchmark_plots/README.md
-rw-r--r--        2379 2019-12-23 21:11 benchmarks/Fayalite-FIST/README.md
-rw-r--r--         255 2019-12-23 21:11 benchmarks/QS_single_node/README.md
-rw-r--r--        3532 2019-12-23 21:11 benchmarks/QS/README.md
-rw-r--r--        5400 2019-12-23 21:12 exts/dbcsr/README.md
-rw-r--r--        5612 2019-12-23 21:11 tools/plan_mpi_omp/README.md
-rw-r--r--        6060 2019-12-23 21:11 tools/doxify/README.md
-rw-r--r--        6076 2019-12-23 21:11 benchmarks/QS_DM_LS/README.md
-rw-r--r--        6264 2019-12-23 21:11 benchmarks/QS_LiH_HFX/README.md
-rw-r--r--        7994 2019-12-23 21:11 benchmarks/QS_pao_ml_tio2/README.md
-rw-r--r--         849 2019-12-23 21:11 benchmarks/QS_mp2_rpa/README.md
-rw-r--r--        1273 2019-12-23 21:11 tools/Fun2D/README
-rw-r--r--         189 2019-12-23 21:11 tools/prettify/README
-rw-r--r--         400 2019-12-23 21:11 tools/manual/README
-rw-r--r--         476 2019-12-23 21:11 tools/minimax_tools/README
-rw-r--r--         599 2019-12-23 21:11 tools/scriptmini/README
-rw-r--r--        6244 2019-12-23 21:11 tools/autotune_grid/README

Basic docs (manual pages, PDF-,HTML-,/doc/-files, ...):
-rw-r--r--         847 2019-12-23 21:11 tools/docker/Dockerfile.build_mingw64
-rw-r--r--        1740 2019-12-23 21:11 tools/toolchain/Dockerfile.cuda_mkl
-rw-r--r--        3742 2019-12-23 21:11 tools/toolchain/Dockerfile
-rw-r--r--         513 2019-12-23 21:11 tools/docker/Dockerfile.test_aiida
-rw-r--r--         319 2019-12-23 21:11 tools/docker/Dockerfile.test_ase
-rw-r--r--         351 2019-12-23 21:11 tools/docker/Dockerfile.test_conventions
-rw-r--r--         429 2019-12-23 21:11 tools/docker/Dockerfile.test_coverage-pdbg
-rw-r--r--         429 2019-12-23 21:11 tools/docker/Dockerfile.test_coverage-sdbg
-rw-r--r--         373 2019-12-23 21:11 tools/docker/Dockerfile.test_cuda-psmp
-rw-r--r--         346 2019-12-23 21:11 tools/docker/Dockerfile.test_farming
-rw-r--r--         311 2019-12-23 21:11 tools/docker/Dockerfile.test_formatting
-rw-r--r--         323 2019-12-23 21:11 tools/docker/Dockerfile.test_i-pi
-rw-r--r--         331 2019-12-23 21:11 tools/docker/Dockerfile.test_manual
-rw-r--r--         367 2019-12-23 21:11 tools/docker/Dockerfile.test_minimal
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_pdbg
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_popt
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_psmp
-rw-r--r--         294 2019-12-23 21:11 tools/docker/Dockerfile.test_python
-rw-r--r--         335 2019-12-23 21:11 tools/docker/Dockerfile.test_scaling
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_sdbg
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_sopt
-rw-r--r--         363 2019-12-23 21:11 tools/docker/Dockerfile.test_ssmp
-rw-r--r--         381 2019-12-23 21:11 tools/docker/Dockerfile.test_valgrind-popt
-rw-r--r--         381 2019-12-23 21:11 tools/docker/Dockerfile.test_valgrind-sopt
-rw-r--r--        1476 2019-12-23 21:11 tools/toolchain/Dockerfile.ubuntu_nompi
-rw-r--r--        7282 2019-12-23 21:11 tools/manual/index.html

First 50 (from 6489) other files:
-rw-r--r--        3643 2019-12-23 21:11 tests/Fist/regtest-14/11_exvdw_11_exei.inp
-rw-r--r--        3574 2019-12-23 21:11 tests/Fist/regtest-14/11_exvdw_12_exei.inp
-rw-r--r--        3574 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei.inp
-rw-r--r--        3587 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei_list_1_check.inp
-rw-r--r--        3669 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei_list_1.inp
-rw-r--r--        3636 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei_list_2_c.inp
-rw-r--r--        3669 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei_list_2.inp
-rw-r--r--        3654 2019-12-23 21:11 tests/Fist/regtest-14/12_exvdw_12_exei_list_empty.inp
-rw-r--r--         892 2019-12-23 21:11 tests/Fist/regtest-1-3/1atom_multipole.inp
-rw-r--r--          50 2019-12-23 21:11 tests/QS/regtest-xc/1H2_PBE.inp
-rw-r--r--          53 2019-12-23 21:11 tests/QS/regtest-xc/1H2_PBEsol.inp
-rw-r--r--          83 2019-12-23 21:11 tests/QS/regtest-xc/1He_PBE0.inp
-rw-r--r--          82 2019-12-23 21:11 tests/QS/regtest-xc/1He_PBE.inp
-rw-r--r--          86 2019-12-23 21:11 tests/QS/regtest-xc/1He_PBEsol0.inp
-rw-r--r--          85 2019-12-23 21:11 tests/QS/regtest-xc/1He_PBEsol.inp
-rw-r--r--          83 2019-12-23 21:11 tests/QS/regtest-xc/1Ne_PBE0.inp
-rw-r--r--          82 2019-12-23 21:11 tests/QS/regtest-xc/1Ne_PBE.inp
-rw-r--r--          86 2019-12-23 21:11 tests/QS/regtest-xc/1Ne_PBEsol0.inp
-rw-r--r--          85 2019-12-23 21:11 tests/QS/regtest-xc/1Ne_PBEsol.inp
-rw-r--r--        1927 2019-12-23 21:11 tests/Fist/regtest-3/2d_pot.inp
-rw-r--r--        1844 2019-12-23 21:11 tests/NEB/regtest-1/2gly_B-NEB.inp
-rw-r--r--        1881 2019-12-23 21:11 tests/NEB/regtest-1/2gly_CI-NEB.inp
-rw-r--r--        1646 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-DNEB.inp
-rw-r--r--        1665 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-NEB.inp
-rw-r--r--        1679 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-OEP-NEB.inp
-rw-r--r--        1635 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-SD-2.inp
-rw-r--r--        1598 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-SD-NEB.inp
-rw-r--r--        1668 2019-12-23 21:11 tests/NEB/regtest-2/2gly_DIIS-SM.inp
-rw-r--r--        1839 2019-12-23 21:11 tests/NEB/regtest-1/2gly_EB-NEB.inp
-rw-r--r--        2231 2019-12-23 21:11 tests/NEB/regtest-4/2gly_IT-NEB-CV.inp
-rw-r--r--        2251 2019-12-23 21:11 tests/NEB/regtest-4/2gly_IT-NEB-CV-res.inp
-rw-r--r--        1846 2019-12-23 21:11 tests/NEB/regtest-1/2gly_IT-NEB.inp
-rw-r--r--        1908 2019-12-23 21:11 tests/NEB/regtest-3/2gly_IT-NEB.inp
-rw-r--r--        1925 2019-12-23 21:11 tests/NEB/regtest-3/2gly_IT-NEB-res.inp
-rw-r--r--        2664 2019-12-23 21:11 tests/Fist/regtest-10/2gly_mtd_dprmsd.inp
-rw-r--r--        3241 2019-12-23 21:11 tests/Fist/regtest-10/2gly_mtd_rp_dp_rmsd.inp
-rw-r--r--        2664 2019-12-23 21:11 tests/Fist/regtest-10/2gly_mtd_rprmsd.inp
-rw-r--r--        1018 2019-12-23 21:11 tests/Fist/sample_pdb/2gly.pdb
-rw-r--r--        4827 2019-12-23 21:11 tests/Fist/sample_pot/2gly.pot
-rw-r--r--        3052 2019-12-23 21:11 tests/Fist/sample_psf/2gly.psf
-rw-r--r--        1902 2019-12-23 21:11 tests/QS/regtest-admm-dm/2H2O-BLOCKED-NONE_DM.inp
-rw-r--r--        1903 2019-12-23 21:11 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-BLOCKED.inp
-rw-r--r--        1914 2019-12-23 21:11 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-FULL.inp
-rw-r--r--        1899 2019-12-23 21:11 tests/QS/regtest-admm-4/2H2O-BLOCKED-PURIFY-OFF.inp
-rw-r--r--        1278 2019-12-23 21:11 tests/QS/untested_inputs/2H2O_bsse.inp
-rw-r--r--        1292 2019-12-23 21:11 tests/QS/regtest-gpw-3/2H2O_bsse.inp
-rw-r--r--        1390 2019-12-23 21:11 tests/QS/regtest-gpw-3/2H2O_bsse_r.inp
-rw-r--r--         875 2019-12-23 21:11 tests/SE/regtest-2-2/2h2o_disp1.inp
-rw-r--r--         913 2019-12-23 21:11 tests/SE/regtest-2-2/2h2o_disp2.inp
-rw-r--r--        1068 2019-12-23 21:11 tests/SE/regtest-2-2/2h2o_disp3.inp
...

A hint: In order to limit the size of this page, in total 6439 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: 1.3 MB).
   MD5 (cp2k-7.1.tar.bz2): 41d4060ae9ec08d4d4e6d35bb8eb5df1
  SHA1 (cp2k-7.1.tar.bz2): 540c4db11d5f722b44796093354e8b8f9182cae1
SHA256 (cp2k-7.1.tar.bz2): ccd711a09a426145440e666310dd01cc5772ab103493c4ae6a3470898cd0addb

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