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TheochemUI
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eOn
eOn v3 and beyond
https://theochemui.github.io/eOn/
BSD 3-Clause "New" or "Revised" License
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DOC,MAINT: Basin Hopping example
#130
HaoZeke
opened
2 months ago
0
DOC,MAINT: Extract the option descriptions into a schema
#129
HaoZeke
closed
2 months ago
0
DOC: Rework to v2
#128
HaoZeke
closed
2 months ago
2
DOC: Finish migrating old documentation / deploy
#127
HaoZeke
closed
2 months ago
0
DOC: Start constructing HTML again
#126
HaoZeke
closed
2 months ago
2
DOC: Add the front-facing user HTML
#125
HaoZeke
closed
2 months ago
0
MAINT,BLD: Clean install
#124
HaoZeke
closed
2 months ago
1
BLD: Cleaner installation
#123
HaoZeke
closed
2 months ago
0
BLD,MAINT,REL: Splitting up and refactoring
#122
HaoZeke
opened
2 months ago
0
Avoid using sudo in installation
#120
AlanSong641
closed
2 months ago
2
TST,MAINT: Add Approval Tests for all internals
#119
HaoZeke
opened
2 months ago
0
TST: Approval test for Parameters
#118
HaoZeke
closed
2 months ago
0
BLD,MAINT: Enable warnings
#117
HaoZeke
opened
2 months ago
1
BLD: Silence warnings, portable version
#116
HaoZeke
closed
2 months ago
0
MAINT,DOC: Temporarily silence more warnings
#115
HaoZeke
closed
2 months ago
0
MAINT,BUG: Fix FPE handling on m1
#114
HaoZeke
closed
2 months ago
1
DOC: Debugging
#113
HaoZeke
opened
2 months ago
0
BUG: Fix idiotic out-of-array in INI reader
#112
HaoZeke
closed
2 months ago
0
Installation with arm64
#111
AlanSong641
opened
2 months ago
13
BUG: INIFile reader has out of access conditionals
#110
HaoZeke
closed
2 months ago
1
REL: Add changelog
#109
HaoZeke
closed
2 months ago
0
TST: Add count checks
#108
HaoZeke
opened
2 months ago
0
ENH: Consider a global registry for Potentials / Better Counting
#107
HaoZeke
opened
2 months ago
0
ENH,BUG: Fix counts
#106
HaoZeke
closed
2 months ago
1
DRAFT: MAINT: Cleanup w/ `magic_enum`
#105
HaoZeke
closed
2 months ago
0
Revert "ENH: Use `magic_enum`"
#104
HaoZeke
closed
2 months ago
0
ENH: Use `magic_enum`
#103
HaoZeke
closed
2 months ago
1
MAINT: Rework counters for AKMC
#101
HaoZeke
closed
2 months ago
1
MAINT: Resync SVN
#100
HaoZeke
opened
2 months ago
0
DOC: eON CECAM Testbed
#98
HaoZeke
closed
2 months ago
0
BUG: Hard to reproduce memory bug
#97
HaoZeke
opened
2 months ago
0
MAINT,TST: Rework to catch, disable pot-test
#96
HaoZeke
closed
2 months ago
1
BUG: Rework matter test without state
#95
HaoZeke
closed
2 months ago
0
BUG: Fix setting potentials on the fly
#94
HaoZeke
closed
2 months ago
0
TST: Use ApprovalTests
#92
HaoZeke
closed
2 months ago
1
MAINT: Cleanup Asap
#91
HaoZeke
opened
2 months ago
0
DRAFT: MAINT: Define generic types
#90
HaoZeke
closed
1 month ago
1
MAINT: Use a concrete type
#89
HaoZeke
opened
2 months ago
1
REL: Keep a changelog
#88
HaoZeke
closed
2 months ago
0
MAINT: Move away from GoogleTest
#87
HaoZeke
closed
2 months ago
1
DRAFT: ENH: Rework input file format
#86
HaoZeke
closed
1 month ago
6
ENH: New cli
#85
HaoZeke
closed
2 months ago
1
TST: Start adding them
#84
HaoZeke
opened
2 months ago
1
ENH: Internal co-ordinates
#83
HaoZeke
opened
2 months ago
0
MAINT: Cleaner CLI
#82
HaoZeke
closed
2 months ago
1
ENH: Add more ORCA environment variables
#81
HaoZeke
closed
2 months ago
1
MAINT: Fix ASE ORCA again
#80
HaoZeke
closed
2 months ago
1
BUG: Construct `displacement.con` from position and direction
#79
HaoZeke
opened
3 months ago
0
BUG: Undercounting by 1
#78
HaoZeke
closed
2 months ago
1
ENH: Add the energy weighted springs
#77
HaoZeke
closed
7 months ago
4
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