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Merge branch 'master' of git.irsamc.ups-tlse.fr:loos/srDFT_SC

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This commit is contained in:
Anthony Scemama 2020-01-27 14:43:55 +01:00
commit ca22984db3
7 changed files with 2230 additions and 505 deletions
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506
new/F2_avtz/plots/DFT_avtzE_relat.eps
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@ -1,6 +1,6 @@
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%%Creator: cairo 1.14.6 (http://cairographics.org)
%%CreationDate: Mon Jan 13 16:46:41 2020
%%CreationDate: Mon Jan 27 14:26:50 2020
%%Pages: 1
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802
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%%Trailer
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%%EOF

17
new/O2_avtz/plots/data_DFT_avtzE_error
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@ -1,8 +1,9 @@
1.95 0.1757054 0.1243017219 0.1176134571 0.1176134571
2.1 0.17337176 0.1235525999 0.1167518477 0.1167518477
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5.0 0.23983211 0.1966206314 0.1902972744 0.1902972744
1.95 0.17626586 0.1248621819 0.1181739171 0.1181739171
2.1 0.17376893 0.1239497699 0.1171490177 0.1171490177
2.2816 0.17081279 0.1224578233 0.1155703186 0.1155703186
2.4 0.1684003 0.1207990264 0.1138756355 0.1138756355
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3.0 0.16741749 0.122240932 0.1152998333 0.1152998333
4.0 0.18487142 0.1418586232 0.1353822709 0.1353822709
5.0 0.16909537 0.1263764622 0.1200320272 0.1200320272
10.0 0.1627337 0.1202721216 0.1142292678 0.1142292678

17
new/O2_avtz/plots/data_DFT_avtzE_relat
View File

@ -1,8 +1,9 @@
1.95 -0.18262671 -0.1908189095 -0.1911838173 -0.1910133877 -0.1185
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10.0 0.0 -8.19483370051e-15 9.21485110439e-15 5.75234304634e-15 0.0

17
new/O2_avtz/plots/data_DFT_avtzE_tot
View File

@ -1,8 +1,9 @@
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