GitHub / VlachosGroup/PythonGroupAdditivity / commits
| SHA | Message | Author | Date | Stats |
|---|---|---|---|---|
| c7a77ef3 | New version | Gerhard R Wittreich, P.E. <w****r@u****u> | about 1 year ago | |
| f4c03c44 | Misc updates | Gerhard R Wittreich, P.E. <w****r@u****u> | about 1 year ago | |
| 41e623f2 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 2 years ago | |
| cc985b26 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 2 years ago | |
| 02919e61 | merge Merge pull request #28 from VlachosGroup/development |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 3 years ago | |
| 6e0d3b9f | Missing dependency | Gerhard R Wittreich, P.E <w****r@u****u> | about 3 years ago | |
| 4809cb80 | merge Merge pull request #27 from VlachosGroup/master |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
about 3 years ago | |
| 539e97e7 | merge Merge pull request #26 from VlachosGroup/development |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
about 3 years ago | |
| f449a933 | merge Merge pull request #25 from VlachosGroup/master |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
about 3 years ago | |
| edfb2733 | Update to v2.9.11 | Gerhard R Wittreich, P.E <w****r@u****u> | about 3 years ago | |
| ee5c43f6 | Add new GA database | Gerhard R Wittreich, P.E <w****r@u****u> | about 3 years ago | |
| ace6aa4a | merge Merge pull request #24 from VlachosGroup/master |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 3 years ago | |
| d6ef4660 | Fix missing S_elements in incomplete.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| 6430ebd7 | merge Merge pull request #22 from VlachosGroup/master |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 3 years ago | |
| 252e9f94 | Fix dependency issues | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| af9c22cf | Fix python version dependency issue | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| bdabe756 | Fix import collections | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| 9b666852 | Update README.rst | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| 70e26ced | merge Merge branch 'master' of https://github.com/VlachosGroup/PythonGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| a9dd6260 | Add entropy of elements functionality | Gerhard R Wittreich, P.E <w****r@u****u> | over 3 years ago | |
| 5b5d2766 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 3 years ago | |
| 8aa4cf64 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 3 years ago | |
| 4d5e5feb | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 3 years ago | |
| af4bede5 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 4 years ago | |
| ff4339c7 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 4 years ago | |
| e59c4637 | Update README.rst |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 4 years ago | |
| 149641b5 | Added TJ's paper to our citation list on README |
Gerhard R Wittreich, PhD, PE <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 4 years ago | |
| 672b973e | Fix failure to parse large molecules | Gerhard R Wittreich, P.E <w****r@u****u> | almost 4 years ago | |
| d1d22706 | Additional fixes to Ru surface.yaml | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| bbfb091d | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 65e4a1a6 | Corrections to Ru surface.yaml file | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| 04e77b1a | merge Merge branch 'master' of https://github.com/VlachosGroup/PythonGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| dd34103d | Added Ru Unit tests and fixed Ru vs Pt in surface.yaml | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| 32aa4cde | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 76c65fe1 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| b5a0b128 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 569086d2 | Added Ru(0001) Database | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| a5cb277e | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| ecb72c75 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 9894f832 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 900b61d0 | Update obsolete files | Gerhard R Wittreich, P.E <w****r@u****u> | over 4 years ago | |
| 96e85f1c | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 4 years ago | |
| 114218ad | Fix BensonGA | Gerhard R Wittreich, P.E <w****r@u****u> | almost 5 years ago | |
| 6fba6cdc | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | about 5 years ago | |
| c517c302 | merge Merge branch 'master' of https://github.com/VlachosGroup/PythonGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | about 5 years ago | |
| 45480fad | Fixed damaged file names | Gerhard R Wittreich, P.E <w****r@u****u> | about 5 years ago | |
| 45f98bca | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 5 years ago | |
| b36d0413 | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | about 6 years ago | |
| 4eb6670d | merge Merge branch 'master' of https://github.com/VlachosGroup/PythonGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | about 6 years ago | |
| 23ce02dc | Corrected Salciccioli surface.yaml | Gerhard R Wittreich, P.E <w****r@u****u> | about 6 years ago | |
| bfdb2049 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
about 6 years ago | |
| 5e117aac | Added workshop files | Gerhard R Wittreich, P.E <w****r@u****u> | about 6 years ago | |
| 9cce7e78 | Update test_RINGparser_RDkitwrapper_test.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 6 years ago | |
| 2e1cec6b | merge Merge branch 'master' of https://github.com/VlachosGroup/PythonGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | over 6 years ago | |
| f69bc713 | Update test_RINGparser_RDkitwrapper_test.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 6 years ago | |
| b7333964 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
almost 7 years ago | |
| b6d395b3 | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 22f30f99 | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 72c0692a | Doc | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 69907114 | More rollback fixes | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| d76ca646 | Update examplepage.rst | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 65bd1149 | Misc Rollback fixes | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 2a499f45 | Corrected spelling | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 33ffa362 | Bug fix in BensonGA | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| 195c6080 | Update README.rst | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| ee5f0ef6 | Create pGrAdd_RGB_github.png | Gerhard R Wittreich, P.E <w****r@u****u> | almost 7 years ago | |
| d3c5c351 | Fix logo | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 9b10a2e7 | Update Reader.py | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 566db989 | Deleted old logo | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 259f6f90 | Added Jon Lym |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
about 7 years ago | |
| 0fe4641b | Version upgrade corrections | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 9e0e49e6 | Version number change | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 98659b3e | Name change pGrAdd to lowercase pgradd | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 9f96b62e | Update raw_data.py | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 5a3e8ea7 | merge Merge pull request #9 from VlachosGroup/development |
Marc <b****c@g****m>
Committed by: GitHub <n****y@g****m> |
about 7 years ago | |
| 22a8e3b3 | merge Merge pull request #8 from VlachosGroup/constants_refactor |
Marc <b****c@g****m>
Committed by: GitHub <n****y@g****m> |
about 7 years ago | |
| 8f4dd858 | merge Merge pull request #7 from VlachosGroup/sphinx |
Marc <b****c@g****m>
Committed by: GitHub <n****y@g****m> |
about 7 years ago | |
| 7900f7f9 | set up basic sphinx | Marc Bolinas <b****c@g****m> | about 7 years ago | |
| 8de20000 | further const conversion to pmutt.constants | Marc Bolinas <b****c@g****m> | about 7 years ago | |
| b4f55f8b | converting constants from Consts to pmutt.constants | Marc Bolinas <b****c@g****m> | about 7 years ago | |
| df21fa7d | Removed GRWSurface 2019 database | Gerhard R Wittreich, P.E <w****r@u****u> | about 7 years ago | |
| 436adb60 | Fix name issues | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 6ae40c97 | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 30d8a878 | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 016788dd | Fix issues with name change | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| e5745fa6 | Update README.rst | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 02e8f493 | Version correction | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 956e1060 | merge update version | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| ff81a6aa | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 31d6df56 | merge Merge branch 'master' of https://github.com/VlachosGroup/VlachosGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 1ef7562d | Update setup.py | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 6f1c5219 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 7 years ago | |
| 8352eae5 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 7 years ago | |
| 94db438c | Directory change | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 76dfce0d | merge Merge branch 'master' of https://github.com/VlachosGroup/VlachosGroupAdditivity | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| ed72fea2 | Correct naming | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 8cc0e175 | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 7 years ago | |
| 6cc1992c | Name change to pGrAdd | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| c52c969c | Name change to pGrAdd | Gerhard R Wittreich, P.E <w****r@u****u> | over 7 years ago | |
| 84f5a13b | Update README.rst |
Gerhard R Wittreich, P.E <w****r@u****u>
Committed by: GitHub <n****y@g****m> |
over 7 years ago |