Issues
- 1
How to save the structure of materials into .cif file?
#126 opened by kdmsit - 0
- 0
OPTIMADE API IDs do not match OQMD IDs
#143 opened by ml-evs - 1
- 1
Bug when parsing element_set
#136 opened by joabro - 15
[OPTIMADE API] Several validation issues reported by the OPTIMADE provider dashboard
#128 opened by ml-evs - 6
- 2
Comparison to NaN.
#114 opened by hodovani - 3
- 2
cannot run oqmd (django ImportError)
#121 opened by LuciusV - 2
[OPTIMADE API] meta->data_available and meta->data_returned provide incorrect values
#116 opened by ml-evs - 3
Optimade info endpoints
#92 opened by skaromny - 1
Periodicity of structures
#91 opened by lmj1029123 - 0
Better package resource discovery
#113 opened by tachyontraveler - 1
Having issues connecting to sql database
#108 opened by zjensen262 - 5
How to edit qmpy/db/settings?
#90 opened by lmj1029123 - 0
ImportError while installing with pip
#38 opened by LuciusV - 1
- 2
Required Packages
#43 opened by huanyu-li - 0
Upgrade from `pyspglib` to `spglib`
#47 opened by mohanliu - 1
calculation.py read_outcar_settings()
#26 opened by mohanliu - 1
How to add new entries to the database
#25 opened by aryhant19 - 2
Problem importing qmpy
#22 opened by gmguarino - 2
Python-ase Requirement for qmpy
#21 opened by jonlym - 1
pyparsing issue
#19 opened by guilleaf - 1
IncompletePhaseError Not Defined
#16 opened by jeffwdoak - 1
Possible to get structures based on composition
#18 opened by MShreyas1 - 0
Some structures unavailable in the database
#20 opened by ChuhongW - 2
Question with Database Setup
#17 opened by MShreyas1 - 1
Compatibility with django 1.7
#13 opened by michaelagibson - 0
Datamining module
#7 opened by skirklin - 0
finish Calculation.read_vasprun_xml
#1 opened by skirklin - 0
More powerful/flexible "parse_formula"
#11 opened by skirklin - 0
Greek character formatting
#2 opened by skirklin - 0
Platform specific paths
#3 opened by skirklin - 0
Test writing
#4 opened by skirklin - 0
- 0
Debye model
#6 opened by skirklin - 0
Elastic Tensor Determination
#8 opened by skirklin - 0
Bond Valence implementation
#9 opened by skirklin - 0
method to convert list of tie-lines and phases
#10 opened by skirklin