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TinkerTools
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tinker9
Tinker9: Next Generation of Tinker with GPU Support
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Semi-isotropic pressure scaling
#181
batukav
closed
2 years ago
19
KT term in pmonte
#176
zhi-wang
closed
2 years ago
1
Sync. with Tinker 3d70a035
#174
zhi-wang
closed
2 years ago
0
Minor changes to HIPPO epolar and empole
#170
roseane-reis
closed
2 years ago
0
Bump babel from 2.9.0 to 2.9.1 in /doc/manual
#169
dependabot[bot]
closed
2 years ago
0
Softcore LJ
#168
zhi-wang
closed
2 years ago
0
cmake errors
#165
asedova
closed
2 years ago
7
Compilation recommendations?
#163
markyoder
closed
2 years ago
21
update libtinker.a to version 1b49b76f
#162
zhi-wang
closed
3 years ago
0
Build GPU code with GNU compilers
#159
sbrozell
closed
3 years ago
3
Gas phase .bar files dont have third column of volume information
#158
misterbrandonwalker
closed
3 years ago
4
Make sentence in install docs more clear
#157
misterbrandonwalker
closed
3 years ago
1
Bump urllib3 from 1.26.4 to 1.26.5 in /doc/manual
#156
dependabot[bot]
closed
3 years ago
0
Save output configuration
#155
mquevill
closed
3 years ago
4
Starting frame index not applied in BAR step 2?
#154
leucinw
closed
3 years ago
1
bar program failed in step 2
#153
leucinw
closed
3 years ago
5
Minimize does not work with neighbor-list
#152
mquevill
closed
3 years ago
7
NVHPC uses env. var. NVLOCALRC instead of PGI_LOCALRC
#151
mquevill
closed
3 years ago
2
Update to tinker dependency 080e8f1d
#150
zhi-wang
closed
3 years ago
0
Poll: Update minimum CMake version to 3.20
#149
zhi-wang
closed
2 years ago
0
fix torsion restraint; modify promo banner
#148
jayponder
closed
3 years ago
0
Bump urllib3 from 1.26.3 to 1.26.4 in /doc/manual
#147
dependabot[bot]
closed
3 years ago
0
Bump pygments from 2.7.3 to 2.7.4 in /doc/manual
#146
dependabot[bot]
closed
3 years ago
0
Bump pyyaml from 5.3.1 to 5.4 in /doc/manual
#145
dependabot[bot]
closed
3 years ago
0
OpenACC reduction(max:) doesn't work as expected
#144
zhi-wang
closed
3 years ago
0
Bump jinja2 from 2.11.2 to 2.11.3 in /doc/manual
#143
dependabot[bot]
closed
3 years ago
0
Bump urllib3 from 1.26.2 to 1.26.3 in /doc/manual
#142
dependabot[bot]
closed
3 years ago
0
Remove the "calc::mass" flag from the source code
#141
zhi-wang
closed
3 years ago
1
string sub-command REPLACE requires at least four arguments
#138
sergueev
closed
3 years ago
4
Fix the potential invalid memory access (not only in PME)
#137
zhi-wang
closed
3 years ago
1
Print the trace of virial tensor at the end of the analyze-v program
#136
zhi-wang
closed
3 years ago
0
Implement AMOEBA PME virial in CUDA
#135
zhi-wang
closed
2 years ago
1
Possible invalid memory access in pme
#134
zhi-wang
closed
3 years ago
2
Implement a velocity-Verlet style Langevin Piston NPT integrator
#133
zhi-wang
closed
2 years ago
0
Tinker9 doesn't support cc86
#132
leucinw
closed
3 years ago
2
Quick Start Tutorial
#131
zhi-wang
closed
3 years ago
0
Attempt to remove the FFTW dependency for the GPU code
#130
zhi-wang
closed
3 years ago
0
make errors: FORTRAN name mangling
#129
asedova
closed
3 years ago
36
Automate the libtinker compilation
#128
zhi-wang
closed
3 years ago
0
update charge flux parameter parsing and "priority"; requires update to current Tinker
#127
jayponder
closed
3 years ago
0
Adjusted eps in HIPPO test-case Empole
#126
roseane-reis
closed
3 years ago
0
Review the VDW counts in ehal
#125
zhi-wang
closed
3 years ago
0
add make install
#124
zhi-wang
closed
3 years ago
0
Update the cmake scripts
#123
zhi-wang
closed
3 years ago
0
Added HIPPO support to m-flag analyze program
#122
roseane-reis
closed
3 years ago
0
HIPPO Documentation
#120
zhi-wang
opened
3 years ago
0
Angle-Torsion Cross Term
#119
zhi-wang
closed
3 years ago
0
Stretch-Torsion Cross Term
#118
zhi-wang
closed
3 years ago
0
TESTGRAD program
#117
zhi-wang
closed
3 years ago
1
ANALYZE program
#116
zhi-wang
closed
3 years ago
1
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