| File |
Last Change
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|---|---|
 ../
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src/
|
3328 (16 years ago) by xsun: new visitors for some odd molecules |
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forceFields/
|
3319 (16 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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make/
|
3319 (16 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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ac-tools/
|
3319 (16 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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samples/
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3286 (16 years ago) by cpuglis: Many fixes for Charmm-type torsions. |
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doc/
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3209 (16 years ago) by gezelter: Updated docs to version 4 |
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test/
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2313 (18 years ago) by tim: adding testcase for zipstream |
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scripts/
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2199 (19 years ago) by gezelter: configure now searches for perl to use with filepp |
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obj/
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1531 (19 years ago) by gezelter: Cleaning up a bit |
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MPIobj/
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1531 (19 years ago) by gezelter: Cleaning up a bit |
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lib/
|
1500 (19 years ago) by gezelter: Keep that lib around, please. |
configure
|
3319 (16 years ago) by gezelter: Removed older version of openbabel from our code. We now have a configure check to see if openbabel is installed and then we link to the stuff we need. Conversion to OOPSE's md format is handled by only one application (atom2md), so most of the work went on there. ElementsTable still needs some work to function in parallel. |
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Makefile
|
3168 (17 years ago) by gezelter: Install process should add some basic text documents |
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ChangeLog
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3131 (17 years ago) by chrisfen: fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1 |
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README
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3027 (17 years ago) by gezelter: Starting cleanup for 4.0 release |
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AUTHORS
|
3027 (17 years ago) by gezelter: Starting cleanup for 4.0 release |
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LICENSE
|
2560 (18 years ago) by gezelter: fixed some version info and the copyright date |