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HEAD
Enforced rotation: fixed torque calculation for FLEX potential when using mass-weighting
[gromacs/adressmacs.git]
/
src
/
mdlib
/
gmx_qhop_xml.h
blob
ad9f5e88af2ef04b9ec94cbfe00e83b7a2b2caa3
1
#ifndef _GMX_QHOP_XML_H
2
#define _GMX_QHOP_XML_H
3
4
#include
"gmx_qhop_parm.h"
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6
extern
gmx_qhop_t
*
gmx_qhops_read
(
char
*
fn
,
int
*
nqhop
);
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8
extern
void
gmx_qhops_write
(
char
*
fn
,
int
nqhop
,
gmx_qhop_t qht
);
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#endif