Anthony Scemama scemama
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scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-21 17:41:11 +02:00
3d5a003050 Table
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-20 19:05:20 +02:00
04594fab4f Add figures
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-20 10:23:43 +02:00
b5aa67c092 Working on paper
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-18 01:37:06 +02:00
6f080ee388 Overlap
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-13 12:38:27 +02:00
6d451550bf Optimal mu data
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-13 02:24:08 +02:00
8a1677edc5 R scripts and data
scemama transferred repository scemama/quack to LCPQ/quack 2020-07-09 21:27:59 +02:00
scemama transferred repository scemama/eplf to LCPQ/eplf 2020-07-09 21:26:44 +02:00
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-09 16:22:04 +02:00
7739286953 Merge branch 'master' of git.irsamc.ups-tlse.fr:scemama/RSDFT-CIPSI-QMC
dc6e0d3388 Minor change
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scemama transferred repository scemama/Crystal-MET to LCPQ/Crystal-MET 2020-07-09 11:45:08 +02:00
scemama transferred repository scemama/dft_tools to LCPQ/dft_tools 2020-07-09 11:44:27 +02:00
scemama synced commits to master at LCPQ/quack from mirror 2020-07-09 10:56:40 +02:00
d1c24948dd correction of EA sign and added Fundamental Gap in the print
scemama synced commits to master at LCPQ/quack from mirror 2020-07-08 18:36:40 +02:00
b82cbc5c87 scan w
253058056b fix correlation individual energies
467fa5d08c fix correlation keywords
91a0120eee fix problem with individual energies
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scemama synced commits to master at LCPQ/quack from mirror 2020-07-07 01:46:40 +02:00
cd781a1e11 HF works
b70c4e1f7a more structure in the code
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scemama synced commits to master at LCPQ/quack from mirror 2020-07-06 17:36:40 +02:00
1e428400c4 scan w for cloclo
ec22768aa8 still cleaning up
2c2f02d701 clean up
b5f7e5e6c9 testing some modifications
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scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-06 16:42:55 +02:00
49d831101d Working on intro
scemama synced commits to master at LCPQ/quack from mirror 2020-07-06 01:16:40 +02:00
372ccd2e4e still looking for some bug
scemama pushed to master at scemama/RSDFT-CIPSI-QMC 2020-07-05 15:18:58 +02:00
05e86ee378 Working on intro
scemama synced commits to master at LCPQ/quack from mirror 2020-07-04 16:36:40 +02:00
f3e7222e49 looking for a bug
22dda9af8b minor modifications
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scemama synced commits to master at LCPQ/quack from mirror 2020-07-03 16:06:40 +02:00
0d78b5195c exchange CC parameters modifications in read_options for all methods