memo.txt | 664 | 0 | 0 | | | 379 Bytes | 4cf300cdfc6e3c833d937c09675f731feea43b9a70287af0776fac520f6fa714 |
test/incar/INCAR.01 | 644 | 0 | 0 | | | 711 Bytes | 371c47162589eaaaddafa3018f18d44d6dc01d3fa94a2fe0e045023e3ee54bc8 |
test/kpoints/g123-456 | 664 | 0 | 0 | | | 57 Bytes | 8d806bf1ff608461b01f505517820836fa37f3e06518797ef39cd66b757ed225 |
test/kpoints/m123-456 | 664 | 0 | 0 | | | 59 Bytes | fa849c850bdf9fa92ed3f480be65beda0fcff408919a64930fe264ddd3c8c193 |
.document | 664 | 0 | 0 | | | 55 Bytes | 0050ed5b67fff8be1f7e1610fb2e9d4a3f5c826d65c82ede0828c633bacc925f |
Gemfile | 664 | 0 | 0 | | | 541 Bytes | 247e5ee235b95f1d218e9461ac8539a5468b7702ca62ad50ba9e9f86988d8567 |
LICENSE.txt | 664 | 0 | 0 | | | 1.03 KB | 662f0475b8462546e0203a64bdbc10739a61914bebe177e20738f84ad895f26e |
README.rdoc | 664 | 0 | 0 | | | 802 Bytes | 9d1c5c68fe44a6de1942e1f633a1f2e6af64b77a21c6c1aceaef4234844c6d76 |
Rakefile | 664 | 0 | 0 | | | 1.47 KB | 395cd3d02f4d9e49e407742aa75ba1d24a36f76f00936ba1be2f911a57002c38 |
VERSION | 664 | 0 | 0 | | | 5 Bytes | 7f5649a1d0d205e76595477af795e43081e7e0f5596a45a8a0fa11bffa203439 |
bin/addVolumeToten.rb | 755 | 0 | 0 | | | 589 Bytes | 3181b81273eb0c764bbae30cbfc15b17f5d55e08b4abcc62b7e1e95c975db530 |
bin/latticeconstants | 755 | 0 | 0 | | | 412 Bytes | 64486fd9f818d4065abbfeba27dd39f46a6870634f15f620ad94602aabb85fc0 |
bin/lsvasp | 775 | 0 | 0 | | | 3.44 KB | 17f536397c9be642275c2fd235f78caaca14713514b8153a5a35e2d4e36da983 |
bin/lsvaspdir | 755 | 0 | 0 | | | 2.16 KB | a8ab26ed9cd26e0a38a3e7d3c888c485215dc2232c0c0abd65a18995bae8132d |
bin/lsvaspseries | 755 | 0 | 0 | | | 3.4 KB | f4c8ffd4cbc73241731a8d6d24bcfd515c8a0cb5244c4af685a581e7fadd0063 |
bin/qsubvasp | 775 | 0 | 0 | | | 1.06 KB | c42a68c34fa769c69ca61edaccd5e23225368d4445a1559b98fe6d72b9dec526 |
bin/runvasp | 775 | 0 | 0 | | | 614 Bytes | bb49eb7c6dcaee3eee0618f7f593d93eca5512952ff5bd877bc21b37d1e1be42 |
bin/symposcar | 775 | 0 | 0 | | | 4.68 KB | 75d5e4dbb944dcf383f493eac024d385035e1db7b1ba5f038c4b37e24d7c66eb |
lib/vasputils.rb | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
lib/vasputils/calcinspector.rb | 644 | 0 | 0 | | | 549 Bytes | 874612dad3df070b65e264969ad964ab3e2af52cea2bf5879017133c40e99a0a |
lib/vasputils/incar.rb | 644 | 0 | 0 | | | 1.58 KB | 52a743d523e56edb60998416e25df0cbcb9707d04a9fc723e46ac2d435686b2f |
lib/vasputils/kpoints.rb | 644 | 0 | 0 | | | 1.01 KB | e666bc9b4e2c6c3a0b70df11b6bbf3bb5a050c27e8413373d40b453ecc7b1787 |
lib/vasputils/outcar.rb | 644 | 0 | 0 | | | 2.02 KB | 041668e45d6ecc648cbe309cfa41b5fde44393f8433cad02f7d66e344423c36f |
lib/vasputils/poscar.rb | 644 | 0 | 0 | | | 4.97 KB | df8d5295f94af5c921b2d7d4b7fe21c32cfdb0ead65d39146ca39508219ccea9 |
lib/vasputils/potcar.rb | 644 | 0 | 0 | | | 330 Bytes | 098502ccbf9176b439bfa8cd7f833b391e0ed4cf00ae66a6a3a61a1ed58054cb |
lib/vasputils/vaspdir.rb | 664 | 0 | 0 | | | 2.59 KB | 1dc44d9d9171d27ff08c07d5d84c7d9fa873108fefb08e37b63d231a2e845f79 |
lib/vasputils/vaspgeomopt.rb | 664 | 0 | 0 | | | 3.41 KB | 299798db15810006e01e4bc1da034f5aebf83b932d38553b9a27c2a5fc990000 |
test/calcseries/dup_finished/try00/CONTCAR | 644 | 0 | 0 | | | 795 Bytes | 9e00adf2dc5af29c50a49032723b5d63578262ff241fe73a99d543a0dcfa07b9 |
test/calcseries/dup_finished/try00/INCAR | 644 | 0 | 0 | | | 713 Bytes | 60160269dddf582f7e67ff72c03967679fd91244ce235b5b625bfeaee8c145e2 |
test/calcseries/dup_finished/try00/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/calcseries/dup_finished/try00/OUTCAR | 644 | 0 | 0 | | | 1.95 KB | d6c80a859ff79d13dfc5801ef8f88280e0839933fd64c6139bb1f14189f0ac83 |
test/calcseries/dup_finished/try00/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/calcseries/dup_finished/try00/POTCAR | 644 | 0 | 0 | | | 41 Bytes | 45885cc87f44c5d249ff08fb3b886e7b12c34bff2ac689b9603ae2964c3860ba |
test/calcseries/dup_finished/try00/lock | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/calcseries/dup_finished/try01/CONTCAR | 644 | 0 | 0 | | | 795 Bytes | 9e00adf2dc5af29c50a49032723b5d63578262ff241fe73a99d543a0dcfa07b9 |
test/calcseries/dup_finished/try01/INCAR | 644 | 0 | 0 | | | 713 Bytes | 60160269dddf582f7e67ff72c03967679fd91244ce235b5b625bfeaee8c145e2 |
test/calcseries/dup_finished/try01/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/calcseries/dup_finished/try01/OUTCAR | 644 | 0 | 0 | | | 1.95 KB | d6c80a859ff79d13dfc5801ef8f88280e0839933fd64c6139bb1f14189f0ac83 |
test/calcseries/dup_finished/try01/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/calcseries/dup_finished/try01/POTCAR | 644 | 0 | 0 | | | 41 Bytes | 45885cc87f44c5d249ff08fb3b886e7b12c34bff2ac689b9603ae2964c3860ba |
test/calcseries/dup_finished/try01/lock | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/calcseries/normal_finished/try00/CONTCAR | 644 | 0 | 0 | | | 795 Bytes | 9e00adf2dc5af29c50a49032723b5d63578262ff241fe73a99d543a0dcfa07b9 |
test/calcseries/normal_finished/try00/INCAR | 644 | 0 | 0 | | | 713 Bytes | 60160269dddf582f7e67ff72c03967679fd91244ce235b5b625bfeaee8c145e2 |
test/calcseries/normal_finished/try00/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/calcseries/normal_finished/try00/OUTCAR | 644 | 0 | 0 | | | 3.01 KB | aff446968e02c7038df1663624e7361982a51e52316e0f315559174d99e12e51 |
test/calcseries/normal_finished/try00/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/calcseries/normal_finished/try00/POTCAR | 644 | 0 | 0 | | | 41 Bytes | 45885cc87f44c5d249ff08fb3b886e7b12c34bff2ac689b9603ae2964c3860ba |
test/calcseries/normal_finished/try00/lock | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/calcseries/normal_finished/try01/CONTCAR | 644 | 0 | 0 | | | 795 Bytes | 9e00adf2dc5af29c50a49032723b5d63578262ff241fe73a99d543a0dcfa07b9 |
test/calcseries/normal_finished/try01/INCAR | 644 | 0 | 0 | | | 713 Bytes | 60160269dddf582f7e67ff72c03967679fd91244ce235b5b625bfeaee8c145e2 |
test/calcseries/normal_finished/try01/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/calcseries/normal_finished/try01/OUTCAR | 644 | 0 | 0 | | | 2.04 KB | 2b9c4c11d3bbbbfee9c225453ff102a6aa3def508a7b237a8adf56f011d113a1 |
test/calcseries/normal_finished/try01/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/calcseries/normal_finished/try01/POTCAR | 644 | 0 | 0 | | | 41 Bytes | 45885cc87f44c5d249ff08fb3b886e7b12c34bff2ac689b9603ae2964c3860ba |
test/calcseries/normal_finished/try01/lock | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/calcseries/not_finished/try00/CONTCAR | 644 | 0 | 0 | | | 795 Bytes | 9e00adf2dc5af29c50a49032723b5d63578262ff241fe73a99d543a0dcfa07b9 |
test/calcseries/not_finished/try00/INCAR | 644 | 0 | 0 | | | 713 Bytes | 60160269dddf582f7e67ff72c03967679fd91244ce235b5b625bfeaee8c145e2 |
test/calcseries/not_finished/try00/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/calcseries/not_finished/try00/OUTCAR | 644 | 0 | 0 | | | 2.97 KB | 86b3a8e33dce3d74433a87196ba0a9da0fef1b1a2934034742f132fbf05ed1c5 |
test/calcseries/not_finished/try00/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/calcseries/not_finished/try00/POTCAR | 644 | 0 | 0 | | | 41 Bytes | 45885cc87f44c5d249ff08fb3b886e7b12c34bff2ac689b9603ae2964c3860ba |
test/calcseries/not_finished/try00/lock | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/helper.rb | 664 | 0 | 0 | | | 412 Bytes | 7aeddd7f011d9fa31d0a6324c29ba3260303e62373447654ce9fad931e3389f0 |
test/incar/INCAR.00 | 644 | 0 | 0 | | | 1.1 KB | af63ed75410f4d0143facf1d04d56a9e23193b69c172bb29d4243d9b797c6074 |
test/outcar/01-03-INT.OUTCAR | 644 | 0 | 0 | | | 26.4 KB | 5f73c5a07b72328b854255add04151f595921d8aa9ca6afc607c3b2224657cc3 |
test/outcar/01-13-FIN.OUTCAR | 644 | 0 | 0 | | | 57.2 KB | e4a5f60ec2f0a81bcfc576cff55f90ef47acfafe8505140afa15876fe8cc269c |
test/outcar/02-05-FIN.OUTCAR | 644 | 0 | 0 | | | 80.1 KB | bdf2d0ba3764102e6ba72f969b63784a2342b87e98e20b313d1b312e857d582e |
test/outcar/03-05-FIN.OUTCAR | 644 | 0 | 0 | | | 102 KB | 217d0e93c5f802eab0365a398872d2d4d63bbae9196821c79147e3ae1bac19c1 |
test/outcar/10-01-FIN.OUTCAR | 644 | 0 | 0 | | | 19.3 KB | 8b6bbe6d3ee07c0451c97263d4df3d8d4ba260bedac6a5362e88fa875dbc891d |
test/poscar/NOT_POSCAR | 644 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/poscar/POSCAR.00 | 644 | 0 | 0 | | | 161 Bytes | e746e35d6bc65661423154fedeeaf036902544bc432e16fa71e78abf9dad4214 |
test/poscar/POSCAR.01 | 644 | 0 | 0 | | | 231 Bytes | 5909efe23166266c66f18eb27d79c62c7ffcd86adeb5d37f221476d5e5bf5c43 |
test/poscarparser/POSCAR.00 | 644 | 0 | 0 | | | 161 Bytes | e746e35d6bc65661423154fedeeaf036902544bc432e16fa71e78abf9dad4214 |
test/poscarparser/POSCAR.01 | 644 | 0 | 0 | | | 231 Bytes | 08551dbf0ff4fe9eba41f4d13793d6151341806347cf195552d25cf2592b8091 |
test/potcar/POTCAR | 644 | 0 | 0 | | | 2.76 KB | e421925e3ee4d1fe82ab962305b0b6768d9d155e12ac74c49628947bfc0cf735 |
test/potcar/POTCAR.allElement | 644 | 0 | 0 | | | 3.66 KB | 5d59d9f1c715948a3941d1265f73f0a035e89cd78c98e0ab2a756c2eee512ac6 |
test/potcar/POTCAR.dummy | 644 | 0 | 0 | | | 59 Bytes | a916cb600a3f9e2fb61afde71a976b6e24f9b91a2c93ae8f608e4417a8b10fc5 |
test/repeatVasp/Iter2-Nsw2.00/INCAR | 644 | 0 | 0 | | | 1.1 KB | f83e3fffbcc116478647b33c6d278c3dad5f59ff3067a7f025adc53be4d6b9bd |
test/repeatVasp/Iter2-Nsw2.00/KPOINTS | 644 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/repeatVasp/Iter2-Nsw2.00/POSCAR | 644 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/repeatVasp/Iter2-Nsw2.00/POTCAR | 644 | 0 | 0 | | | 1.86 KB | e41424094f8d16583468ababe43757a50eeb62025c83bd0fb4a35df16143ec12 |
test/repeatVasp/test.sh | 644 | 0 | 0 | | | 101 Bytes | a80fd7e39799ed8e5268c454896b21b07a47ea4708133c2f1e6101ec1340b066 |
test/test_calcinspector.rb | 644 | 0 | 0 | | | 1.24 KB | 5fdc11b40013fad21f7d37f67c2415a63b84e582c573889e93e194ce3e53f893 |
test/test_incar.rb | 644 | 0 | 0 | | | 2.96 KB | 2c61d2b73b901cfd3699e77343d9f3d7b59080ef8e85c22bfdac9ec80a4f6348 |
test/test_kpoints.rb | 644 | 0 | 0 | | | 2.6 KB | 351e8ad7a3a94a6ad7887242665cbb44c2ebab240155a83af2af0de156b75130 |
test/test_outcar.rb | 644 | 0 | 0 | | | 7.8 KB | 0664e86bd930e868864245529c1a3feb650ff85066c3bfa9a93e884cd6ed4a6c |
test/test_poscar.rb | 644 | 0 | 0 | | | 5.89 KB | 86461eb778cfa24dd7cb70d60741a6afcecc94f3852b7498addeefada2f6743b |
test/test_potcar.rb | 664 | 0 | 0 | | | 2.86 KB | ade6c9a7bb9d25da5ce565c4a0b4bea29172814a1e861783068108149555d3a6 |
test/test_vaspdir.rb | 664 | 0 | 0 | | | 3.45 KB | b8650c77b54f06606f0c26fdce54cc1e454e2064fcf4491a8ca4b3f5e1d08657 |
test/test_vaspgeomopt.rb | 664 | 0 | 0 | | | 3.05 KB | be20114d459a2ffa47ec1cb86d4a3bd47777ff9b71e189c860832d07fad55f8e |
test/vaspdir/finished/CONTCAR | 664 | 0 | 0 | | | 795 Bytes | b0fe1e2332d854cd0deb096b7d9754eec123ccc412f7c2533d7d69591e029592 |
test/vaspdir/finished/INCAR | 664 | 0 | 0 | | | 696 Bytes | 2f1448407eea2fd1cf0c8336cf0ee759b49cebccaca1ca2f52913289287bfa8d |
test/vaspdir/finished/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/finished/OUTCAR | 664 | 0 | 0 | | | 57.2 KB | e4a5f60ec2f0a81bcfc576cff55f90ef47acfafe8505140afa15876fe8cc269c |
test/vaspdir/finished/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/finished/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/lack-INCAR/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/lack-INCAR/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/lack-INCAR/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/lack-KPOINTS/INCAR | 664 | 0 | 0 | | | 696 Bytes | 2f1448407eea2fd1cf0c8336cf0ee759b49cebccaca1ca2f52913289287bfa8d |
test/vaspdir/lack-KPOINTS/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/lack-KPOINTS/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/lack-POSCAR/INCAR | 664 | 0 | 0 | | | 696 Bytes | 2f1448407eea2fd1cf0c8336cf0ee759b49cebccaca1ca2f52913289287bfa8d |
test/vaspdir/lack-POSCAR/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/lack-POSCAR/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/lack-POTCAR/INCAR | 664 | 0 | 0 | | | 696 Bytes | 2f1448407eea2fd1cf0c8336cf0ee759b49cebccaca1ca2f52913289287bfa8d |
test/vaspdir/lack-POTCAR/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/lack-POTCAR/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/locked/INCAR | 664 | 0 | 0 | | | 713 Bytes | b5cacddfca6fb4bbf06a5a0f0d985a4e03ac8cc5880d37cbc091809f4f7c30e7 |
test/vaspdir/locked/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/locked/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/locked/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/not-yet/INCAR | 664 | 0 | 0 | | | 713 Bytes | b5cacddfca6fb4bbf06a5a0f0d985a4e03ac8cc5880d37cbc091809f4f7c30e7 |
test/vaspdir/not-yet/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/not-yet/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/not-yet/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspdir/started/CONTCAR | 664 | 0 | 0 | | | 795 Bytes | b0fe1e2332d854cd0deb096b7d9754eec123ccc412f7c2533d7d69591e029592 |
test/vaspdir/started/INCAR | 664 | 0 | 0 | | | 696 Bytes | 2f1448407eea2fd1cf0c8336cf0ee759b49cebccaca1ca2f52913289287bfa8d |
test/vaspdir/started/KPOINTS | 664 | 0 | 0 | | | 56 Bytes | e97216933fdf6695eb76cab3631226f9f1cbb5f9ce14e17cf44a1585dccdefea |
test/vaspdir/started/OUTCAR | 664 | 0 | 0 | | | 41 KB | 5045b030185f7968e3214acbd8c424a1e7c286e8facdd6c22cdbe746e54f0c8e |
test/vaspdir/started/POSCAR | 664 | 0 | 0 | | | 597 Bytes | d71fb2152ad178d0f7e16f31a7cd2be499d9c3d128b5964730b918f1ec5f5d02 |
test/vaspdir/started/POTCAR | 664 | 0 | 0 | | | 365 Bytes | e138993b8db442f27fa3ef28c20ea5f65ecf496a5e7cd0a7584488237b813121 |
test/vaspgeomopt/ended-Iter1/try00/CONTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try00/OUTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try01/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try01/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try01/OUTCAR | 664 | 0 | 0 | | | 855 Bytes | 9836668ddbe79e7f87c0628586c27efebb706077ec7202958b09f156981599b6 |
test/vaspgeomopt/ended-Iter1/try01/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter1/try01/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/CONTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/OUTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try01/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try01/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try01/OUTCAR | 664 | 0 | 0 | | | 1.04 KB | b214880e4b303df3020bf39a42ff8fbf710a8c543ed2808b8957fdb975d2961f |
test/vaspgeomopt/ended-Iter2/try01/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/ended-Iter2/try01/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/not-yet/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/not-yet/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/not-yet/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/not-yet/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/CHG | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/CHGCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/CONTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/DOSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/EIGENVAL | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/OSZICAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/OUTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/PCDAT | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/WAVECAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/XDATCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/prepare_next/try00/vasprun.xml | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/started/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/started/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/started/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/started/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/CONTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/OUTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try00/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try01/INCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try01/KPOINTS | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try01/POSCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
test/vaspgeomopt/till01/try01/POTCAR | 664 | 0 | 0 | | | 0 Bytes | e3b0c44298fc1c149afbf4c8996fb92427ae41e4649b934ca495991b7852b855 |
vasputils.gemspec | 664 | 0 | 0 | | | 9.72 KB | 86c9710113c8c2ad375252b577f67487377bfaa497c28e6d64b8b22b131f8b82 |