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Commit Graph

9 Commits

Author SHA1 Message Date
f66426453f Fix significative figures in datafiles 2020-02-03 13:26:26 +01:00
88acab0c32 Fix transition for water 2020-01-29 17:20:34 +01:00
3a72177129 Add code 2020-01-29 17:20:34 +01:00
8caf38678a Add geometry 2020-01-29 17:20:34 +01:00
e3fc183184 Add DOI 2020-01-29 17:20:34 +01:00
2030daf9e9 Add first table 2020-01-29 17:20:34 +01:00
5b977b8d52 Delete all data 2020-01-29 17:20:34 +01:00
021411bb40 Fix # Number Spin Symm comment 2019-11-17 17:43:01 +01:00
b84050615d Add aug-cc-pVQZ for water 2019-09-30 18:13:12 +02:00