Hi,
One set of the files that can't be read were put up by myself (the
Gaussian ones) and (as most things) I did it for a reason :-).
A consideration of why may want to 'hang on' to them is that when a
newer version of software comes out and assuming that their input
files do not change, a newer output file can be generated and checked
for compatibility. It may make figuring out which modifications need
to be made to support the new output files too a bit easier.
Just a thought.
René
On Mar 17, 2006, at 1:50 AM, [EMAIL PROTECTED] wrote:
De: "Miguel" <[EMAIL PROTECTED]>
Yes, I think that there are a few files that cannot be read.
If there are files that cannot be read then we should delete them.
I am not that it's normal for all of them, and some should probably
be kept, but I don't know which.
Here's the list in Jmol-datafiles not being read by Jmol:
- ammonia.adf.out
- bulk_Si.in
- ch2chfme_reagent.inp
- ch2chfme_reagent.out
- ch3oh_ace.out
- ch4-opt.out
- f1.cephalo
- h2o_b3lyp_IR.out
- HfO2_mol_opt.in
- Hf02_on_Si_relax.in
- LiMoS2_optimisation_ISIF3.vasp
- pei2h2o.in
- pei2h2o.out
- Si_eband.out
- slab_7Si_3Vac_2x.in
- slab_7Si_3Vac_2x_relax_2x1.out
- t12.abinit.out
- t13.abinit.out
- t54.in
- tms.log
- zeolite_AFI.out
- aces2/ch3oh_ace.out
- gaussian/H2O.in
- gaussian/H2O_3.in
- gaussian/H2O_NoSymm.in
- molpro/vib.xml
Nico
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