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Author SHA1 Message Date
Liz
068928d52d Update README.md v1.4.2.1 2016-01-15 08:28:45 -08:00
Liz
f04941517c Update README.md 
formatting
 2016-01-14 09:48:59 -08:00
Liz
83c5224731 Update README.md 
Updating build instructions
 2016-01-14 09:48:20 -08:00
Liz
b1dedf66c4 Update README.md 
updating
 2016-01-13 15:31:36 -08:00
Liz
6b2ecb8d2d Update README.md 
formatting
 2016-01-13 15:19:58 -08:00
Liz
da9ca37866 Update README.md 
adding python build instructions.
 2016-01-13 15:18:38 -08:00
kozlac
b0d93dea1e (issue #64) Changes to the python script and the .cfg file are done. As soon as testing is done I'll merge with master. 2016-01-12 16:22:30 -08:00
Keith T. Star
34f4cd4afb Somehow the geoflow_c pointer got messed up. Fixing. 2016-01-08 17:09:58 -08:00
kozlac
f5b5d65393 Merge branch 'master' of https://github.com/Electrostatics/apbs-pdb2pqr 
Removed "-binary" from the readme tables for the 1.4.2 release.
 2016-01-08 17:00:02 -08:00
kozlac
4c3a3c15d8 Removed the '-binary' from the readme tables 2016-01-08 16:59:13 -08:00
Keith T. Star
3007b18bde Merge branch 'master' of https://github.com/Electrostatics/apbs-pdb2pqr 2016-01-08 14:47:43 -08:00
Keith T. Star
c2091a55b0 Minor changes to get Geoflow to properly link on Winblows. 2016-01-08 14:47:40 -08:00
kozlac
13a1f557f2 Merge branch 'master' of https://github.com/Electrostatics/apbs-pdb2pqr 
Updating examples tables with results from APBS1.4.2
 2016-01-08 14:38:37 -08:00
kozlac
0f9eb2778b Updated examples' tables with the new tests results using APBS 1.4.2 Binary (see issue #407) 2016-01-08 14:37:30 -08:00
Keith T. Star
ed0ac7f520 Update to suck in new geoflow_c. 2016-01-08 13:53:40 -08:00
Keith T. Star
4e04ec0f00 Updates for building binary releases. 2016-01-08 10:44:25 -08:00
Keith T. Star
8bf753243a Push Geometric Flow reference. 2016-01-07 13:14:35 -08:00
Keith T. Star
0816cef518 Yet another Travis CMake fix because CMake versions across operating systems in isconsistent. Not in love with Travis any longer. 2016-01-07 08:52:40 -08:00
Keith T. Star
ee10feea99 Bump for geoflow updates for Travis functionality. 2016-01-06 18:40:13 -08:00
Keith T. Star
fe3e2d883d Update required CMake version, and bumped the APBS version in anticipation of the release. 2016-01-06 12:24:11 -08:00
Keith T. Star
2059742f7a Update geoflow_c pointer. 2016-01-06 12:14:48 -08:00
Keith T. Star
dda8834e40 Changes to expeted results that were in separate files didn't make it back into the main test case file. This is why those separate files were such a terrible idea. Sigh. 2016-01-06 11:31:13 -08:00
Keith T. Star
f13d3bf75d Added setup processing to the APBS tester Python script to support adding the protein RNA tests. Closes issues #149. 2016-01-06 09:58:30 -08:00
Keith T. Star
759e9d4971 Update travis test runner to remove duplication. 2016-01-05 15:12:01 -08:00
Keith T. Star
06e92524d5 cruft deletion 2016-01-05 14:51:47 -08:00
lizutah
79ac30c96f Merge branch 'master' of https://github.com/Electrostatics/apbs-pdb2pqr 2016-01-03 13:26:31 -08:00
lizutah
a590a63a88 adding missing examples files for http://localhost:4000/examples/potentials_of_mean_force/ 2016-01-03 13:26:17 -08:00
kozlac
383e6a7ee9 Fixing example/misc/README.md. 2015-12-31 09:51:51 -08:00
kozlac
c7414e55ed (issue #340) Added the missing folders to the main examples table. Fixed the table in example/opal/README.md and converted the README in examples/misc to a md file. 2015-12-31 09:43:42 -08:00
kozlac
86cf4a101f Added missing directories to the main example readme table.(see issue #340) 2015-12-30 15:37:25 -08:00
kozlac
a86631889e Fixed typo. 2015-12-30 12:39:30 -08:00
kozlac
9d9e2550d5 Added readme files to smpbe, membrane, and bem folders in /examples (see issue #340). 2015-12-30 12:37:23 -08:00
lizutah
fe2ea204e9 Merge branch 'master' into geoflow-merge 2015-12-27 14:06:36 -08:00
lizutah
69a8f72930 tested new geoflow parameters, ready to merge with master 2015-12-27 13:57:51 -08:00
kozlac
ed78767d12 Made changes so that the programs throws an error when using either methods or boundary conditions that are not currently supported by geoflow. (see issue#404). 2015-12-23 13:03:38 -08:00
kozlac
cb8405ac59 Merge branch 'geoflow-merge' of https://github.com/Electrostatics/apbs-pdb2pqr into geoflow-merge 
Merge to throw some warnings when reading the .in file using geoflow.
 2015-12-23 09:51:53 -08:00
kozlac
793e338b6d Testing changes to throw some warnings. 2015-12-23 09:51:49 -08:00
lizutah
3afcba1cfd Merge branch 'geoflow-merge' of https://github.com/Electrostatics/apbs-pdb2pqr into geoflow-merge 2015-12-23 09:49:40 -08:00
lizutah
3a8d6c05bd removing uncommented code and debugging output 2015-12-23 09:49:30 -08:00
Liz
54afc73b80 adding geometric flow example to the table. 2015-12-23 09:02:37 -08:00
kozlac
7f0e27cf80 Merge branch 'geoflow-merge' of https://github.com/Electrostatics/apbs-pdb2pqr into geoflow-merge 
Merging work done by @lizutah.
 2015-12-22 15:39:55 -08:00
kozlac
db0055d333 some changes to throw warnings still not complete though. 2015-12-22 15:39:23 -08:00
Liz
bf67aa98ad Update README.md 2015-12-22 15:22:16 -08:00
Liz
cfcb08c6af Update README.md 2015-12-22 15:21:17 -08:00
Liz
f69f91389a Update README.md 2015-12-22 15:20:24 -08:00
Liz
b8da147804 Update README.md 2015-12-22 15:19:34 -08:00
Liz
335144afc3 Update README.md 2015-12-22 15:18:52 -08:00
Liz
7ee7c7ebbd Update README.md 2015-12-22 15:17:38 -08:00
lizutah
b5c4bf249c fixed a few input params, including the grid size 2015-12-22 15:08:30 -08:00
lizutah
72f82cc675 removed commented out cruft 2015-12-22 15:07:44 -08:00