lib/vasputils/incar.rb | 664 | 0 | 0 | | | 1.91 KB | 2ab86964e3adcd24e331de0f450633a06896ca9363da93ccae85026f7ddca534 |
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bin/genkpoints | 775 | 0 | 0 | | | 1014 Bytes | 1fbf460e191b0aa85e9c9c4b491ae494638402a8bfc70866714515d94ba7454c |
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lib/vasputils/outcar.rb | 664 | 0 | 0 | | | 2.78 KB | 091050013a5f7046bb1191bbdd045f2a51ea9bf3bd5b7794e8a7a4d5187e3c95 |
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test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/CONTCAR | 664 | 0 | 0 | | | 512 Bytes | 64f8303415a00e21843a444da3fe2b82c817ff2b8523c7e0a90eeb95f196b699 |
test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/INCAR | 664 | 0 | 0 | | | 267 Bytes | 5ac9f43bc2feda9b17e4be90f7d082f08f886900ee726b8a22fca1b4cebde782 |
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test/conditionanalyzer/01/02-KPOINTS/4x4x4/try05/POSCAR | 664 | 0 | 0 | | | 512 Bytes | 64f8303415a00e21843a444da3fe2b82c817ff2b8523c7e0a90eeb95f196b699 |
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test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/CONTCAR | 664 | 0 | 0 | | | 512 Bytes | e1cc0fa65c64fadb20fa32539c362c757c6b1a4045b5f550fbd230d23bced101 |
test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/INCAR | 664 | 0 | 0 | | | 267 Bytes | 5ac9f43bc2feda9b17e4be90f7d082f08f886900ee726b8a22fca1b4cebde782 |
test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/KPOINTS | 664 | 0 | 0 | | | 54 Bytes | daa465c746730ded73b8ddec71ce67d7432a48c5baad5f9fe99e6a050a231639 |
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test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/POSCAR | 664 | 0 | 0 | | | 512 Bytes | e1cc0fa65c64fadb20fa32539c362c757c6b1a4045b5f550fbd230d23bced101 |
test/conditionanalyzer/01/02-KPOINTS/8x8x8/try05/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/conditionanalyzer/mixed_conditions/orthorhombic/CONTCAR | 664 | 0 | 0 | | | 795 Bytes | b0fe1e2332d854cd0deb096b7d9754eec123ccc412f7c2533d7d69591e029592 |
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test/conditionanalyzer/mixed_conditions/orthorhombic/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
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test/conditionanalyzer/mixed_conditions/orthorhombic/POSCAR | 664 | 0 | 0 | | | 363 Bytes | 4212a768640fccf9edb82bea52b723ad634fb127617707fee2175e1d0e8242da |
test/conditionanalyzer/mixed_conditions/orthorhombic/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/conditionanalyzer/mixed_conditions/tetragonal/CONTCAR | 664 | 0 | 0 | | | 795 Bytes | b0fe1e2332d854cd0deb096b7d9754eec123ccc412f7c2533d7d69591e029592 |
test/conditionanalyzer/mixed_conditions/tetragonal/INCAR | 664 | 0 | 0 | | | 708 Bytes | 498107c7ba6f3bf426fe8c51e5dd7a2202b0f7010f49761ab6b99f5a1cceeb44 |
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test/conditionanalyzer/mixed_conditions/tetragonal/POSCAR | 664 | 0 | 0 | | | 363 Bytes | 98a101db3290a4a57d0823fb949ced160d0393e5f67efc85e5164a103e9e358d |
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test/conditionanalyzer/picker/encut400_k444-cubic/INCAR | 664 | 0 | 0 | | | 708 Bytes | 364899bc300d407ad93bd13ddc90a0814a7972f43a746f6e16fba9cade8c48d2 |
test/conditionanalyzer/picker/encut400_k444-cubic/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | 0e1514a544e246134904fb7171f6a432846be2c6af37edd13829dc33e0094f92 |
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test/conditionanalyzer/picker/encut400_k444-cubic/POSCAR | 664 | 0 | 0 | | | 218 Bytes | 202d21ae2d6a2d4329d4e015f96ae2f456758253b0cf7b2711696c4472f73ad8 |
test/conditionanalyzer/picker/encut400_k444-cubic/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/conditionanalyzer/picker/encut400_k444-tetragonal-b/INCAR | 664 | 0 | 0 | | | 708 Bytes | 364899bc300d407ad93bd13ddc90a0814a7972f43a746f6e16fba9cade8c48d2 |
test/conditionanalyzer/picker/encut400_k444-tetragonal-b/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | 1abd706d7bb5866f83f7e896dee347e2287ca9023a2842c4d27eeba450fe2983 |
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test/conditionanalyzer/picker/encut400_k444-tetragonal-b/POSCAR | 664 | 0 | 0 | | | 218 Bytes | ff4b2fc87891c5a2abd324242c7001c946597f5d6b6736d128645b530dc74d5a |
test/conditionanalyzer/picker/encut400_k444-tetragonal-b/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/conditionanalyzer/picker/encut400_k444-unfinished/INCAR | 664 | 0 | 0 | | | 708 Bytes | 364899bc300d407ad93bd13ddc90a0814a7972f43a746f6e16fba9cade8c48d2 |
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test/potcar/dummy/Eu_3/POTCAR | 664 | 0 | 0 | | | 5 Bytes | 0458a6e4aaa92e8ad687148340bac1784f50b34d2c039f3143fea8b8a46898e1 |
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test/potcar/dummy/F_GW/POTCAR | 664 | 0 | 0 | | | 5 Bytes | b89608a94835b92c8276f24b8f4087f1acbcb4a8c1075df3f9a7d2bb9c4a37cb |
test/potcar/dummy/F_GW_new/POTCAR | 664 | 0 | 0 | | | 9 Bytes | 9e8971f4340e7b593004858460d3f2c273cd86bff0d21c5f6806dbd3b4991770 |
test/potcar/dummy/F_h/POTCAR | 664 | 0 | 0 | | | 4 Bytes | b72d15ebd262c911f98034e652cf785033e4564e960866c478ac1a9fd044f8c3 |
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test/potcar/dummy/Fe_GW/POTCAR | 664 | 0 | 0 | | | 6 Bytes | a2bcaff8bf2c7dc7eb6e15f3f6d58f06c57176c126f4835fc82ad67d87eed2eb |
test/potcar/dummy/Fe_pv/POTCAR | 664 | 0 | 0 | | | 6 Bytes | 3304772a72fec53c9b212273823689f8b34bb8ed0722c9ad6e0c1ee79ac50a89 |
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test/potcar/dummy/Li_AE_GW/POTCAR | 664 | 0 | 0 | | | 9 Bytes | 15a32c196ae30e13c7ff3e7ac5215e7a3229d41052aa02c0caf196b6177a68a6 |
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test/potcar/dummy/Mg_pv/POTCAR | 664 | 0 | 0 | | | 6 Bytes | 806957b85ab7756b5b956066c3922ca577f39f8ac78e89e338a866e21f677e2e |
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test/potcar/dummy/Nb_pv/POTCAR | 664 | 0 | 0 | | | 6 Bytes | 123cfa74016548767475c2d782d11fb45877919de17c801fe6cbacb7d892a8b1 |
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test/potcar/dummy/O_GW_new/POTCAR | 664 | 0 | 0 | | | 9 Bytes | c75143a913998a0414353d4529a42d90ecc2f1fcb6a69a019cca51c704604d6d |
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test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt01/POSCAR | 664 | 0 | 0 | | | 233 Bytes | 4699488dfddf54d795070aa842bd3cda11c0cf9bbbb4ee25fb6e296707889109 |
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test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/POSCAR | 664 | 0 | 0 | | | 233 Bytes | 3e0a92e2b661e17d40b1a025c2d06af55a5eb8ee774d1a5dfa65cd4e68215161 |
test/vaspgeometryoptimizer/reset_reincarnation/orig/geomopt02/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
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