Pinned issues
Issues
- 2
Utilizing the GROW results for conducting multiple QCG solvation FE calculations
#302 opened by moabe84 - 5
QCG final geometry optimization at GFN-FF
#278 opened by moabe84 - 1
munmap_chunk(): invalid pointer
#269 opened by Erikna00 - 1
Getting "Please try other setting manually"
#337 opened by anand5ky - 2
Updating conda to the latest version
#295 opened by moabe84 - 2
A problem with crest(msreact) and molbar
#336 opened by AndreySchadel - 9
- 2
Problems with msreact
#332 opened by AndreySchadel - 25
- 5
compilation problem in tblite_api
#333 opened by krzys-r - 2
f-in-core in CREST 3.0.1
#334 opened by corinwagen - 4
NCI - how to study an ion -water cluster?
#267 opened by johnwkeller54 - 2
- 4
[MISSING] - Block for solvent
#329 opened by coltonbh - 1
Getting error "Please check your input"
#327 opened by anand5ky - 2
- 3
- 2
IMTD-GC segfaults on atoms and diatoms
#320 opened by jevandezande - 11
- 4
different results from same settings
#324 opened by ismiek - 1
- 0
How to calculate the QCG of mixed solvents?
#319 opened by zdworld - 2
Can not run the examples/expl-4 and expl-9
#317 opened by zdworld - 8
Crest constrained conformational search on Linux incorrectly fails due to a missing coord file
#314 opened by tfhughes - 1
Getting huge memory file crest_rotamer.xyz .
#316 opened by anand5ky - 2
Initial geometry optimization failed
#313 opened by Jevon-Du - 4
Question in starting the xtb optimization
#308 opened by zhenghq0518 - 2
- 1
- 1
Having trouble reproducing examples
#305 opened by GreenMeansForgive - 1
Can this program be run on Windows 11?
#307 opened by freakyfreaker104 - 1
Defaults equivalence: v. 2.12 and v.3.01
#304 opened by aslozada - 6
- 6
- 2
QCG failed with Hexane as solute
#296 opened by ik160 - 5
- 2
Feature Suggestion: One sided harmonic constraint
#298 opened by kevinkong98 - 3
- 4
- 1
tautomerize failure with gff, success with other ffs
#290 opened by jessbade - 12
Parallelization issue during iMTD-GC in crest 3.0
#284 opened by kevinkong98 - 7
Initial geometry optimization error
#281 opened by tfhughes - 2
Tautomerism screening with gfnff
#282 opened by ryanpedersonterray - 1
--constrain does not create file
#279 opened by cassguff - 3
Output gets deleted
#280 opened by jessman - 1
Patches to compile 3.0pre for unix platforms
#277 opened by kartlee - 1
Support compiling code under Windows
#276 opened by kartlee - 2
Missing options for [[calculation.constraints]] sub-block in TOML for Crest 3
#264 opened by tfhughes - 2
Crest 3 list-directed I/O syntax error on Linux
#262 opened by tfhughes - 5