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ACEsuit
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ACEinterfaces
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Get ACE descriptors only from ACE1.jl
#17
yanxon
opened
2 years ago
19
ACEinterfaces ASE calculator fails internal test
#16
bernstei
closed
2 years ago
7
unphysical behavior when the ASE ACECalculator is called on a system with small cell vectors but pbc=False
#15
bernstei
opened
2 years ago
0
Fix test potential
#14
gelzinyte
opened
2 years ago
0
Segfaults pretty much instantly using NS
#13
casv2
opened
2 years ago
35
calling ACECalculator broken with multithreaded python
#12
bernstei
opened
2 years ago
0
test_ase_calc.py seg faults with new ACE1
#11
bernstei
opened
2 years ago
7
Clean up path handling
#10
bernstei
closed
2 years ago
0
unhelpful error when ACE1 package is not available but user passes version=1
#9
bernstei
opened
2 years ago
0
verbose flag for ACECalculator constructor
#8
bernstei
closed
2 years ago
1
"free_energy" ASE calculator property
#7
bernstei
opened
2 years ago
8
better error message from when json file is wrong
#6
bernstei
opened
2 years ago
0
silent creation of ASE calculator
#5
bernstei
closed
2 years ago
4
better error handling for ASE installer
#4
bernstei
opened
2 years ago
1
ACE Versions
#3
cortner
opened
2 years ago
6
virial vs stress
#2
cortner
opened
2 years ago
4
Dynamic library
#1
14yapkc1
closed
3 years ago
0