| commit | f7ac60a16be3c2656cf4b385486c8d1fd4c6a2bc | |
| author | Christian Blau <cblau@gwdg.de> | |
| Fri, 31 May 2019 06:30:39 +0000 (31 08:30 +0200) | ||
| committer | Christian Blau <cblau@gwdg.de> | |
| Fri, 28 Jun 2019 09:00:41 +0000 (28 11:00 +0200) | ||
| tree | 66a43183d4b9b6473dc7294f892a129cfbb46fd7 | treesnapshot (tar.gz zip) |
| parent | 985dce34f8ef8aa61af7647639752965c7cedde1 | commitdiff |
Add class to look up density fitting amplitudes
Adds a look-up for the weight used for spreading atoms on a grid and
calculate forces on them.
refs #2282
Change-Id: Iadd26f04265aa85ad30a827c92f2c5d5fc48ef85
Adds a look-up for the weight used for spreading atoms on a grid and
calculate forces on them.
refs #2282
Change-Id: Iadd26f04265aa85ad30a827c92f2c5d5fc48ef85
| src/gromacs/applied_forces/CMakeLists.txt | diffblobblamehistory | |
| src/gromacs/applied_forces/densityfittingamplitudelookup.cpp | [new file with mode: 0644] | blob |
| src/gromacs/applied_forces/densityfittingamplitudelookup.h | [new file with mode: 0644] | blob |
| src/gromacs/applied_forces/tests/CMakeLists.txt | diffblobblamehistory | |
| src/gromacs/applied_forces/tests/densityfittingamplitudelookup.cpp | [new file with mode: 0644] | blob |