/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/generic/ |
H A D | mgparm.h | 203 typedef struct sMGparm MGparm; typedef 211 VEXTERNC int MGparm_getNx(MGparm *thee); 219 VEXTERNC int MGparm_getNy(MGparm *thee); 227 VEXTERNC int MGparm_getNz(MGparm *thee); 235 VEXTERNC double MGparm_getHx(MGparm *thee); 243 VEXTERNC double MGparm_getHy(MGparm *thee); 251 VEXTERNC double MGparm_getHz(MGparm *thee); 283 VEXTERNC double MGparm_getCenterX(MGparm *thee); 323 VEXTERNC void MGparm_dtor(MGparm **thee); 330 VEXTERNC void MGparm_dtor2(MGparm *thee); [all …]
|
H A D | mgparm.c | 89 VPUBLIC int MGparm_getNx(MGparm *thee) { in MGparm_getNx() 93 VPUBLIC int MGparm_getNy(MGparm *thee) { in MGparm_getNy() 97 VPUBLIC int MGparm_getNz(MGparm *thee) { in MGparm_getNz() 101 VPUBLIC double MGparm_getHx(MGparm *thee) { in MGparm_getHx() 105 VPUBLIC double MGparm_getHy(MGparm *thee) { in MGparm_getHy() 109 VPUBLIC double MGparm_getHz(MGparm *thee) { in MGparm_getHz() 117 MGparm *thee = VNULL; in MGparm_ctor() 118 thee = (MGparm*)Vmem_malloc(VNULL, 1, sizeof(MGparm)); in MGparm_ctor() 175 VPUBLIC void MGparm_dtor(MGparm **thee) { in MGparm_dtor() 183 VPUBLIC void MGparm_dtor2(MGparm *thee) { ; } in MGparm_dtor2() [all …]
|
H A D | nosh.h | 173 MGparm *mgparm; /**< Multigrid parameters */
|
/dports/science/tinker/tinker/apbs/include/linux/apbs/ |
H A D | mgparm.h | 192 typedef struct sMGparm MGparm; typedef 200 VEXTERNC int MGparm_getNx(MGparm *thee); 208 VEXTERNC int MGparm_getNy(MGparm *thee); 216 VEXTERNC int MGparm_getNz(MGparm *thee); 224 VEXTERNC double MGparm_getHx(MGparm *thee); 232 VEXTERNC double MGparm_getHy(MGparm *thee); 240 VEXTERNC double MGparm_getHz(MGparm *thee); 272 VEXTERNC double MGparm_getCenterX(MGparm *thee); 312 VEXTERNC void MGparm_dtor(MGparm **thee); 319 VEXTERNC void MGparm_dtor2(MGparm *thee); [all …]
|
H A D | vpmgp.h | 214 VEXTERNC Vpmgp* Vpmgp_ctor(MGparm *mgparm); 224 VEXTERNC int Vpmgp_ctor2(Vpmgp *thee, MGparm *mgparm);
|
H A D | routines.h | 206 VEXTERNC void printMGPARM(MGparm *mgparm, double realCenter[3]); 216 MGparm *mgparm, /**< Object with MG-specific parameters */ 261 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg); 299 VEXTERNC int forceMG(Vmem *mem, NOsh *nosh, PBEparm *pbeparm, MGparm *mgparm,
|
H A D | vpmg.h | 198 MGparm *mgparm, /**< MGparm parameter object for boundary conditions */ 216 MGparm *mgparm, /**< MGparm parameter object for boundary
|
H A D | nosh.h | 156 MGparm *mgparm; /**< Multigrid parameters */
|
/dports/science/tinker/tinker/apbs/include/macos/apbs/ |
H A D | mgparm.h | 192 typedef struct sMGparm MGparm; typedef 200 VEXTERNC int MGparm_getNx(MGparm *thee); 208 VEXTERNC int MGparm_getNy(MGparm *thee); 216 VEXTERNC int MGparm_getNz(MGparm *thee); 224 VEXTERNC double MGparm_getHx(MGparm *thee); 232 VEXTERNC double MGparm_getHy(MGparm *thee); 240 VEXTERNC double MGparm_getHz(MGparm *thee); 272 VEXTERNC double MGparm_getCenterX(MGparm *thee); 312 VEXTERNC void MGparm_dtor(MGparm **thee); 319 VEXTERNC void MGparm_dtor2(MGparm *thee); [all …]
|
H A D | vpmgp.h | 214 VEXTERNC Vpmgp* Vpmgp_ctor(MGparm *mgparm); 224 VEXTERNC int Vpmgp_ctor2(Vpmgp *thee, MGparm *mgparm);
|
H A D | routines.h | 206 VEXTERNC void printMGPARM(MGparm *mgparm, double realCenter[3]); 216 MGparm *mgparm, /**< Object with MG-specific parameters */ 261 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg); 299 VEXTERNC int forceMG(Vmem *mem, NOsh *nosh, PBEparm *pbeparm, MGparm *mgparm,
|
H A D | vpmg.h | 198 MGparm *mgparm, /**< MGparm parameter object for boundary conditions */ 216 MGparm *mgparm, /**< MGparm parameter object for boundary
|
H A D | nosh.h | 156 MGparm *mgparm; /**< Multigrid parameters */
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/tools/python/ |
H A D | apbslib.i | 56 MGparm(); 57 ~MGparm(); 59 } MGparm; typedef 60 extern void MGparm_setCenterX(MGparm *thee, double x); 61 extern void MGparm_setCenterY(MGparm *thee, double y); 62 extern void MGparm_setCenterZ(MGparm *thee, double z); 112 MGparm *mgparm; 349 int wrap_forceMG(Vmem *mem, NOsh *nosh, PBEparm *pbeparm, MGparm *mgparm, in wrap_forceMG() 478 extern void printMGPARM(MGparm *mgparm, double realCenter[3]); 479 extern int initMG(int i, NOsh *nosh, MGparm *mgparm, [all …]
|
H A D | apbslib_wrap.doc | 9 1. class MGparm 11 [ created from struct MGparm ] 14 MGparm() 15 [ Constructor: returns MGparm * ] 112 [ Member data: returns MGparm * ]
|
H A D | apbslib.c | 3409 result = (MGparm *)(MGparm *) calloc(1, sizeof(MGparm)); in _wrap_new_MGparm() 3419 MGparm *arg1 = (MGparm *) 0 ; in _wrap_delete_MGparm() 3441 MGparm *arg1 = (MGparm *) 0 ; in _wrap_MGparm_type_set() 3472 MGparm *arg1 = (MGparm *) 0 ; in _wrap_MGparm_type_get() 3501 MGparm *arg1 = (MGparm *) 0 ; in _wrap_MGparm_setCenterX() 3531 MGparm *arg1 = (MGparm *) 0 ; in _wrap_MGparm_setCenterY() 3561 MGparm *arg1 = (MGparm *) 0 ; in _wrap_MGparm_setCenterZ() 4193 MGparm *arg2 = (MGparm *) 0 ; in _wrap_NOsh_calc_mgparm_set() 5743 MGparm *arg4 = (MGparm *) 0 ; in _wrap_wrap_forceMG() 6338 MGparm *arg1 = (MGparm *) 0 ; in _wrap_printMGPARM() [all …]
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/mg/ |
H A D | vpmgp.h | 224 VEXTERNC Vpmgp* Vpmgp_ctor(MGparm *mgparm); 234 VEXTERNC int Vpmgp_ctor2(Vpmgp *thee, MGparm *mgparm);
|
H A D | vpmgp.c | 76 VPUBLIC Vpmgp* Vpmgp_ctor(MGparm *mgparm) { in Vpmgp_ctor() 93 VPUBLIC int Vpmgp_ctor2(Vpmgp *thee,MGparm *mgparm) { in Vpmgp_ctor2()
|
H A D | vpmg.h | 231 MGparm *mgparm, /**< MGparm parameter object for boundary conditions */ 249 MGparm *mgparm, /**< MGparm parameter object for boundary
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/ |
H A D | routines.h | 234 VEXTERNC void printMGPARM(MGparm *mgparm, double realCenter[3]); 244 MGparm *mgparm, /**< Object with MG-specific parameters */ 289 VEXTERNC int setPartMG(NOsh *nosh, MGparm *mgparm, Vpmg *pmg); 327 VEXTERNC int forceMG(Vmem *mem, NOsh *nosh, PBEparm *pbeparm, MGparm *mgparm, 712 VEXTERNC void printMGPARM(MGparm *mgparm, double realCenter[3]);
|
/dports/science/tinker/tinker/apbs/test/ |
H A D | io.mc | 86 MGparm_check: checking MGparm object of type 0. 125 MGparm_check: checking MGparm object of type 0. 134 MGparm_check: checking MGparm object of type 0. 212 MGparm_check: checking MGparm object of type 0. 306 MGparm_check: checking MGparm object of type 0. 384 MGparm_check: checking MGparm object of type 0. 484 MGparm_check: checking MGparm object of type 0. 562 MGparm_check: checking MGparm object of type 0. 659 MGparm_check: checking MGparm object of type 0. 737 MGparm_check: checking MGparm object of type 0. [all …]
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/src/ |
H A D | apbs_driver.h | 211 MGparm *mgparm,
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/doc/releases/ |
H A D | 200402-APBS-0.3.0.rst | 78 * Moved chgm from PBEparm to MGparm 82 * Changed many NOsh, FEMparm, MGparm variables to enums
|
H A D | 200707-APBS-0.5.1.rst | 14 * Added warning about strange grid settings (MGparm)
|
/dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/pdb2pka/ |
H A D | example.py | 75 mgparm = MGparm()
|