issues
search
TinkerTools
/
tinker9
Tinker9: Next Generation of Tinker with GPU Support
Other
48
stars
26
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Conformations in GPU
#255
dmitriys566
opened
2 weeks ago
0
Tinker9 Does not print denisity as well Temperature
#253
heman3333
opened
2 months ago
0
Tinker9 giving INDUCED dipoles not converged even when Tinker8 works fine
#252
ronnie247
opened
2 months ago
0
Compiling Tinker9 issues- cannot open/find .mod files
#251
CallumFrEllis
opened
3 months ago
1
unable to set atoms inactive
#250
blakemertz
closed
3 months ago
2
Soaking molecule into solvent
#249
AlexRizk12
closed
4 months ago
2
installation missing prtdcd.f
#248
agoliaei
closed
4 months ago
1
Spatial::LSTCAP
#246
mayank-kohli
opened
5 months ago
1
SAVE-CYCLE not working in TINKER9
#244
jacekkozuch
opened
6 months ago
0
Tinker9 issue
#243
petraskun
opened
8 months ago
1
Restraining Bond Orientation
#242
cdpoon
opened
8 months ago
0
Issue compiling in debian -- assertion failed at syspredef.cpp
#239
blakemertz
closed
4 months ago
4
don't print out temperature during nvt ensemble simulation
#238
Cynthia-0807
opened
9 months ago
5
Installation issue
#237
chem1912
closed
6 months ago
2
Same error on every computer after weekend - tinker9 does not work anymore
#236
AlainWil
closed
10 months ago
1
No charge-charge interaction calculation
#235
mircodaniel
opened
11 months ago
1
Bump certifi from 2022.12.7 to 2023.7.22 in /doc/manual
#232
dependabot[bot]
opened
1 year ago
0
Bump pygments from 2.12.0 to 2.15.0 in /doc/manual
#231
dependabot[bot]
opened
1 year ago
0
Tinker9 Compilation for CC 89
#229
cdpoon
closed
10 months ago
7
GPU for tinker scan
#228
tiny-ynn
opened
1 year ago
0
test failures
#227
dmr3
closed
1 year ago
2
Bump requests from 2.27.1 to 2.31.0 in /doc/manual
#226
dependabot[bot]
opened
1 year ago
0
Fix number of cores for CC86-89
#223
aurbn
opened
1 year ago
1
possible for python API ?
#220
thangckt
opened
1 year ago
0
Some very simple documentation requests
#219
markyoder
opened
1 year ago
3
External Field
#217
zhi-wang
opened
1 year ago
1
clean up Potent::REPULS because Tinker8 now calls it Potent::REPEL
#216
zhi-wang
opened
1 year ago
0
Clean up code and docs for UREYBRADTERM which used to be UREYTERM
#215
zhi-wang
opened
1 year ago
1
Charge transfer energy does not agree between two versions of code
#214
leucinw
opened
1 year ago
1
Support for lambda scaling in HIPPO
#213
roseane-reis
closed
1 year ago
0
Bump certifi from 2022.5.18.1 to 2022.12.7 in /doc/manual
#212
dependabot[bot]
closed
1 year ago
0
dynamic9 prints out `****` at coordinate xyz positions
#208
BJWiley233
closed
1 year ago
2
Installation issue
#207
Maxim-93
closed
1 year ago
2
Odd Spatial2 requested way to many elements
#206
BJWiley233
closed
1 year ago
5
Tinker9 compilarion issue
#204
vojtechkostal
closed
2 years ago
1
Exchpol
#203
momokchung
closed
2 years ago
0
Solvate command
#202
eneas77
closed
2 years ago
2
Aromatic rings warped with OPLS-AA
#201
eneas77
closed
2 years ago
3
T9-GPU does not compile
#199
gwiecz1
closed
2 years ago
12
minimize9 failure
#198
BJWiley233
closed
2 years ago
4
Rebuild application
#195
eneas77
closed
2 years ago
2
T9_ACC_COMPILER
#194
eneas77
closed
2 years ago
2
Improve aplus
#192
zhi-wang
opened
2 years ago
3
Unit tests for aplus
#191
zhi-wang
closed
2 years ago
0
Dockerfile script
#190
BJWiley233
closed
2 years ago
14
looking for a travis-ci alternative?
#187
zhi-wang
closed
1 year ago
0
Partial implementation of the NPT integrator
#186
zhi-wang
closed
2 years ago
0
amoebaplus implementation
#185
leucinw
closed
2 years ago
1
Reverted changes related to the repulsion model
#183
roseane-reis
closed
2 years ago
1
Implementation of new repulsion model
#182
roseane-reis
closed
2 years ago
0
Next