Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * PartialChargesFused.hpp
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Jun 12, 2016
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 |
|
|---|
| 9 | #ifndef PARTIALCHARGESFUSED_HPP_
|
|---|
| 10 | #define PARTIALCHARGESFUSED_HPP_
|
|---|
| 11 |
|
|---|
| 12 | // include config.h
|
|---|
| 13 | #ifdef HAVE_CONFIG_H
|
|---|
| 14 | #include <config.h>
|
|---|
| 15 | #endif
|
|---|
| 16 |
|
|---|
| 17 | /** This namespace contains a key for its sole data member PartialCharges.
|
|---|
| 18 | *
|
|---|
| 19 | * We need these keys as enumeration of the data members to allow
|
|---|
| 20 | * generic algorithms to work on it.
|
|---|
| 21 | *
|
|---|
| 22 | * \note forward declarations are not enough as we need the true (but empty)
|
|---|
| 23 | * instance when going through the list with boost::mpl::for_each.
|
|---|
| 24 | */
|
|---|
| 25 | struct PartialChargesFused
|
|---|
| 26 | {
|
|---|
| 27 | // keys for partial charges
|
|---|
| 28 | struct partial_charges_t {};
|
|---|
| 29 | };
|
|---|
| 30 |
|
|---|
| 31 | #endif /* PARTIALCHARGESFUSED_HPP_ */
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
