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removed old CPU implementation. Now always using LibTorch, either on … CI #2162: Commit a207619 pushed by maxbonomi
September 30, 2023 16:07 4m 4s master
master
September 30, 2023 16:07 4m 4s
remove Bfactor groups - useless CI #2161: Commit 4455163 pushed by maxbonomi
September 30, 2023 15:45 1h 15m 55s master
master
September 30, 2023 15:45 1h 15m 55s
remove scale/offset MC CI #2160: Commit 3fe8d60 pushed by maxbonomi
September 30, 2023 15:36 1h 27m 41s master
master
September 30, 2023 15:36 1h 27m 41s
remove old annealing CI #2159: Commit e6c21cc pushed by maxbonomi
September 30, 2023 15:26 1h 14m 38s master
master
September 30, 2023 15:26 1h 14m 38s
try to fix codecheck with intel compilers CI #2158: Commit 77b06d8 pushed by maxbonomi
September 30, 2023 12:40 1h 29m 23s master
master
September 30, 2023 12:40 1h 29m 23s
override CI #2157: Commit 531413f pushed by maxbonomi
September 30, 2023 06:48 1h 15m 5s master
master
September 30, 2023 06:48 1h 15m 5s
fixed codecheck errors - mostly namespace std CI #2156: Commit c05e394 pushed by maxbonomi
September 30, 2023 06:38 1h 14m 32s master
master
September 30, 2023 06:38 1h 14m 32s
fix compilation on Mac CI #2155: Commit 986f421 pushed by maxbonomi
September 30, 2023 04:42 1h 14m 48s master
master
September 30, 2023 04:42 1h 14m 48s
add note on GPU version of LibTorch for EMMIVOX CI #2154: Commit 8a6a971 pushed by maxbonomi
September 29, 2023 17:19 1h 14m 31s master
master
September 29, 2023 17:19 1h 14m 31s
add example to download CUDA-enabled LibTorch 2.0.0 CI #2153: Commit 2ee5c95 pushed by maxbonomi
September 29, 2023 17:13 1h 13m 27s master
master
September 29, 2023 17:13 1h 13m 27s
Fixed typo in documention for DOPS CI #2152: Commit 8ed372d pushed by gtribello
September 29, 2023 12:56 40m 4s htt-multicolvar
htt-multicolvar
September 29, 2023 12:56 40m 4s
Added shortcut to calculate DOPS order parameter CI #2151: Commit 5fabfa1 pushed by gtribello
September 29, 2023 11:38 30m 44s htt-multicolvar
htt-multicolvar
September 29, 2023 11:38 30m 44s
add EMMIVOX to list of actions that require LibTorch CI #2150: Commit d63c422 pushed by maxbonomi
September 29, 2023 11:11 1h 20m 20s master
master
September 29, 2023 11:11 1h 20m 20s
add EMMIVOX to ISDB module CI #2149: Commit 02b90ee pushed by maxbonomi
September 29, 2023 08:19 3h 1m 41s master
master
September 29, 2023 08:19 3h 1m 41s
some small update to SAXS CI #2148: Commit d3dcdf6 pushed by carlocamilloni
September 29, 2023 07:52 2h 30m 45s master
master
September 29, 2023 07:52 2h 30m 45s
fix typo CI #2147: Commit 849c0b6 pushed by maxbonomi
September 29, 2023 05:45 4h 5m 39s master
master
September 29, 2023 05:45 4h 5m 39s
add PLUMED-ISDB in LibTorch section CI #2146: Commit 018f9f0 pushed by maxbonomi
September 29, 2023 05:37 2h 37m 15s master
master
September 29, 2023 05:37 2h 37m 15s
remove LibTorch installation instruction, redirect to right page CI #2145: Commit 15c64d7 pushed by maxbonomi
September 29, 2023 05:35 2h 10m 19s master
master
September 29, 2023 05:35 2h 10m 19s
Added derivatives of quaternion CVs CI #2144: Commit 0fe398e pushed by gtribello
September 28, 2023 16:22 2h 16m 29s htt-multicolvar
htt-multicolvar
September 28, 2023 16:22 2h 16m 29s
Pytorch optimization (#974) CI #2143: Commit 585cddc pushed by carlocamilloni
September 28, 2023 14:46 2h 24m 56s master
master
September 28, 2023 14:46 2h 24m 56s
update OPES explore bibliography (#975) CI #2142: Commit 154b897 pushed by carlocamilloni
September 28, 2023 14:45 53m 46s v2.8
v2.8
September 28, 2023 14:45 53m 46s
update OPES explore bibliography CI #2141: Pull request #975 opened by invemichele
September 28, 2023 13:45 51m 4s invemichele:v2.8
invemichele:v2.8
September 28, 2023 13:45 51m 4s
Pytorch optimization CI #2140: Pull request #974 opened by luigibonati
September 27, 2023 14:48 1h 27m 22s luigibonati:master
luigibonati:master
September 27, 2023 14:48 1h 27m 22s
First commit of module for molecular crystalline order from Jake McKi… CI #2139: Commit 4bd2575 pushed by gtribello
September 26, 2023 08:04 31m 0s htt-multicolvar
htt-multicolvar
September 26, 2023 08:04 31m 0s
Resolution function and PARAMETERS for SANS (#972) CI #2138: Commit 948e8df pushed by carlocamilloni
September 25, 2023 12:40 1h 10m 55s master
master
September 25, 2023 12:40 1h 10m 55s
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