Niccolo.Ricardi (7576fccc) at 25 Aug 13:33
ccp=True for get_nbas
Niccolo.Ricardi (378d392b) at 25 Aug 13:24
minor changes to get_nbas
Niccolo.Ricardi (109b23d8) at 23 Aug 07:20
extras is handled properly
Niccolo.Ricardi (7b8ad7c5) at 23 Aug 07:12
fixed mistake in copy_density
Niccolo.Ricardi (cb9be4f6) at 23 Aug 07:00
no equal sign in fde. correct updating of import
Niccolo.Ricardi (a33bd18a) at 23 Aug 06:47
no equal sign in fde. debug printout
Niccolo.Ricardi (4be7accb) at 20 Aug 17:31
solved issues with copy_density, dealing with alpha_only files frag...
Niccolo.Ricardi (a1a2fdc5) at 19 Aug 17:01
ccpjson_default in get_nbas
Niccolo.Ricardi (ff3ad714) at 16 Aug 20:46
removed useless create_folder argument in run_job
Niccolo.Ricardi (9eaea48a) at 13 Aug 21:00
making sure path_B in macrocycles is always defined
Niccolo.Ricardi (ec9ad2e3) at 10 Aug 13:50
superflous keyword in rem_kw
Niccolo.Ricardi (e4624074) at 10 Aug 12:22
logchdir logs the changing of directory
Niccolo.Ricardi (8a50d1d0) at 07 Aug 21:11
same story for macrocycles
Niccolo.Ricardi (5794e232) at 07 Aug 21:08
some mishap. copying densities only if A/B_init and it==0
Niccolo.Ricardi (83792090) at 07 Aug 20:41
printlevel default is 20/info
Niccolo.Ricardi (532a6b48) at 07 Aug 20:24
improvements 1