tilde-lab / tilde Goto Github PK

/home/Evgeny/data/samples/thesis_outputs/
Exception RuntimeError: 'generator ignored GeneratorExit' in <generator object _parse at 0xff9a107c> ignored
Traceback (most recent call last):
File "./utils/entry.py", line 202, in
checksum, error = Tilde.save(calc, session)
File "/home/Evgeny/tilde/tilde/core/api.py", line 570, in save
if len(calc.tresholds) > 1: ormcalc.struct_optimisation = model.Struct_optimisation(tresholds=json.dumps(calc.tresholds), ncycles=json.dumps(calc.ncycles))
OverflowError: Invalid Nan value when encoding double

provide a method to recreate symmetry-equivalent atoms (actual for WIEN2K)

get rid of windows errors concerned with spaces in program path

!

If occured, stops parsing competely

Backbone!

standard k-paths based on existing k-paths (k dot p task)

Mn2O3
binary-metal
etc.

correct defects handling in 2d case

Mendeleev

plug in javascript MVC framework, history dispatcher and dependency collector (e.g. require.js)

no jquery ui dependence!

Why difference in time???

According to @ansobolev tests, 66% time of the entire parsing is spent in commit, 26% in read. Who is to blame, SQLite, DB schema, api.save() or alchemy?

Must be simplified

needs testing!